[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6/c1-32-22-15-18(16-23(33-2)26(22)34-3)9-14-25(31)35-17-24(30)27-19-10-12-21(13-11-19)29-28-20-7-5-4-6-8-20/h4-8,10-13,15-16H,9,14,17H2,1-3H3,(H,27,30)