methyl 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butanoate

Systemtic Name: methyl 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butanoate Openeye Name: methyl 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butanoate CAS Name: 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butanoate Traditional Name: 2-cyano-4-(1H-indol-3-yl)-3-(4-methoxyphenyl)butyric acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CNC3=CC=CC=C32)C(C#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CNC3=CC=CC=C32)C(C#N)C(=O)OC

InChI

InChI=1S/C21H20N2O3/c1-25-16-9-7-14(8-10-16)18(19(12-22)21(24)26-2)11-15-13-23-20-6-4-3-5-17(15)20/h3-10,13,18-19,23H,11H2,1-2H3