Chemical ID: 7513954

CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)OCC
Chemical ID:
7513954
Name [?]:
ethyl 4-(3-chloro-4-ethoxy-benzoyl)aminobenzoate
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)OCC
InChi [?]:
InChI=1/C18H18ClNO4/c1-3-23-16-10-7-13(11-15(16)19)17(21)20-14-8-5-12(6-9-14)18(22)24-4-2/h5-11H,3-4H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,16,18,6,15,19,5,8,17,7,14,9,4,11,20,10,13,12,21,3,22/E:(5,6)(8,9)/rA:24nCCOCCCCCCClCONCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClNO4
All Atoms:42
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.5221
Area:579.832
Solvation:-3.97365
Coulombic:-49.399
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.31
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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