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

Systemtic Name: methyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C23H21N3O3/c1-16-8-9-17(23(28)29-2)14-20(16)25-22(27)11-10-18-15-26(13-5-12-24)21-7-4-3-6-19(18)21/h3-4,6-11,14-15H,5,13H2,1-2H3,(H,25,27)/b11-10+