[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O3/c1-12-5-3-4-6-16(12)20-17(21)13(2)23-18(22)15-9-7-14(11-19)8-10-15/h7-10,12-13,16H,3-6H2,1-2H3,(H,20,21)