[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [(1R)-2-anilino-1-methyl-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 [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C23H21N3O3/c1-17(23(28)25-19-8-3-2-4-9-19)29-22(27)13-12-18-16-26(15-7-14-24)21-11-6-5-10-20(18)21/h2-6,8-13,16-17H,7,15H2,1H3,(H,25,28)/b13-12+/t17-/m1/s1