[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C23H24N2O3/c1-17(22(26)25-14-8-2-3-9-15-25)28-23(27)21-13-7-6-12-20(21)19-11-5-4-10-18(19)16-24/h4-7,10-13,17H,2-3,8-9,14-15H2,1H3/t17-/m1/s1