[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C)O

InChI

InChI=1S/C21H23NO6/c1-3-27-19-12-15(7-8-18(19)24)17(23)9-10-21(26)28-13-20(25)22-16-6-4-5-14(2)11-16/h4-8,11-12,24H,3,9-10,13H2,1-2H3,(H,22,25)