Chemical ID: 7298483

CCOC(=O)c1c(c2ccccc2nc1COC(=O)c3ccc(c(c3)OC)OC)C
Chemical ID:
7298483
Name [?]:
ethyl 2-[(3,4-dimethoxybenzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2ccccc2nc1COC(=O)c3ccc(c(c3)OC)OC)C
InChi [?]:
InChI=1/C23H23NO6/c1-5-29-23(26)21-14(2)16-8-6-7-9-17(16)24-18(21)13-30-22(25)15-10-11-19(27-3)20(12-15)28-4/h6-12H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,29,27,2,10,11,9,12,21,22,25,16,7,20,8,13,15,23,24,6,18,4,14,19,5,28,26,3,17/rA:30nCCOCOCCCCCCCCNCCOCOCCCCCCOCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO6
All Atoms:53
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.111
Area:649.984
Solvation:-6.1386
Coulombic:-59.4691
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:409.432
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.22
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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