[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-26-15-6-4-5-13(7-15)11-22-19(24)12-29-21(25)17-9-14-8-16(27-2)10-18(28-3)20(14)23-17/h4-10,23H,11-12H2,1-3H3,(H,22,24)