[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H19N3O5/c1-27-16-10-14-11-17(23-20(14)18(12-16)28-2)21(26)29-13-19(25)24(9-8-22)15-6-4-3-5-7-15/h3-7,10-12,23H,9,13H2,1-2H3