Chemical ID: 4213991

CCOc1cc(ccc1O)C2C(=CN(C=C2C(=O)OC)CCOC)C(=O)OC
Chemical ID:
4213991
Name [?]:
dimethyl 4-(3-ethoxy-4-hydroxy-phenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOc1cc(ccc1O)C2C(=CN(C=C2C(=O)OC)CCOC)C(=O)OC
InChi [?]:
InChI=1/C20H25NO7/c1-5-28-17-10-13(6-7-16(17)22)18-14(19(23)26-3)11-21(8-9-25-2)12-15(18)20(24)27-4/h6-7,10-12,18,22H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,28,2,7,8,21,22,5,15,13,6,16,12,9,4,11,17,25,14,10,18,26,23,19,27,3/E:(3,4)(11,12)(14,15)(19,20)(23,24)(26,27)/rA:28nCCOCCCCCCOCCCNCCCOOCCCOCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;s14;s11d15;s16;d17;s17;s19;s14;s21;s22;s23;s12;d25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.15443
Area:589.832
Solvation:-6.59137
Coulombic:-74.9413
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:391.415
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.05
LogP (Chemaxon):1.16

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Descriptor Annotations

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