methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C24H24N4O3/c1-28(2)19-10-8-16(9-11-19)12-17(14-25)23(29)27-22(24(30)31-3)13-18-15-26-21-7-5-4-6-20(18)21/h4-12,15,22,26H,13H2,1-3H3,(H,27,29)/b17-12+