[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-18(23(29)27(2)25(17-26)15-7-4-8-16-25)31-24(30)21-13-11-20(12-14-21)22(28)19-9-5-3-6-10-19/h3,5-6,9-14,18H,4,7-8,15-16H2,1-2H3/t18-/m1/s1