methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]benzoic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H19N3O3/c1-28-22(27)16-7-10-18(11-8-16)24-21(26)12-9-17-15-25(14-4-13-23)20-6-3-2-5-19(17)20/h2-3,5-12,15H,4,14H2,1H3,(H,24,26)/b12-9+