[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-14(2)16-7-9-17(10-8-16)19(24)25-15(3)18(23)22-20(13-21)11-5-4-6-12-20/h7-10,14-15H,4-6,11-12H2,1-3H3,(H,22,23)