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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)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-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C21H28N2O3/c1-14(2)18-10-7-17(8-11-18)9-12-19(24)26-16(5)20(25)23-21(6,13-22)15(3)4/h7-12,14-16H,1-6H3,(H,23,25)/b12-9+