ethyl 3-[(3-ethoxycarbonylphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-oxidanyl-4-oxidanylidene-quinoline-2-carboxylate

Systemtic Name: ethyl 3-[(3-ethoxycarbonylphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-oxidanyl-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: ethyl 3-[(3-ethoxycarbonylphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-4-oxo-quinoline-2-carboxylate CAS Name: 3-[(3-ethoxycarbonylphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-4-oxo-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethoxycarbonylphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-4-oxoquinoline-2-carboxylate Traditional Name: 3-(3-carbethoxybenzyl)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-hydroxy-4-keto-quinaldic acid ethyl ester Formula: C32H31NO8 MolecularWeight: 557.59044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CN3C4=C(C=C(C=C4)O)C(=O)C(=C3C(=O)OCC)CC5=CC=CC(=C5)C(=O)OCC)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1CN3C4=C(C=C(C=C4)O)C(=O)C(=C3C(=O)OCC)CC5=CC=CC(=C5)C(=O)OCC)OCO2

InChI

InChI=1S/C32H31NO8/c1-4-20-14-27-28(41-18-40-27)15-22(20)17-33-26-11-10-23(34)16-24(26)30(35)25(29(33)32(37)39-6-3)13-19-8-7-9-21(12-19)31(36)38-5-2/h7-12,14-16,34H,4-6,13,17-18H2,1-3H3