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

Systemtic Name: ethyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]benzoic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c1-2-29-23(28)17-7-5-8-19(15-17)25-22(27)12-11-18-16-26(14-6-13-24)21-10-4-3-9-20(18)21/h3-5,7-12,15-16H,2,6,14H2,1H3,(H,25,27)/b12-11+