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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-16(2)19-10-7-18(8-11-19)9-12-20(25)27-17(3)21(26)24-22(15-23)13-5-4-6-14-22/h7-12,16-17H,4-6,13-14H2,1-3H3,(H,24,26)/b12-9+