methyl 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate

Systemtic Name: methyl 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate Openeye Name: methyl 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate CAS Name: 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate Traditional Name: 1-(cyanomethyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CC#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CC#N)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-25-14-7-5-13(6-8-14)19-15-11-17(26-2)18(27-3)12-16(15)23(10-9-22)20(19)21(24)28-4/h5-8,11-12H,10H2,1-4H3