[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N

InChI

InChI=1S/C23H27N3O3/c1-16(2)19-9-7-18(8-10-19)13-20(14-24)22(28)29-17(3)21(27)26-23(15-25)11-5-4-6-12-23/h7-10,13,16-17H,4-6,11-12H2,1-3H3,(H,26,27)/b20-13+/t17-/m1/s1