[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C=CC1=CN(C2=CC=CC=C21)CCC#N

Isomeric SMILES

CC(C)CNC(=O)COC(=O)/C=C/C1=CN(C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C20H23N3O3/c1-15(2)12-22-19(24)14-26-20(25)9-8-16-13-23(11-5-10-21)18-7-4-3-6-17(16)18/h3-4,6-9,13,15H,5,11-12,14H2,1-2H3,(H,22,24)/b9-8+