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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenylmethoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4/c1-18(22(27)26-24(17-25)14-6-3-7-15-24)30-23(28)20-10-12-21(13-11-20)29-16-19-8-4-2-5-9-19/h2,4-5,8-13,18H,3,6-7,14-16H2,1H3,(H,26,27)