[(1R,3R,4R)-3-azanyl-3-methoxycarbonyl-4-phenyl-cyclohexyl] benzoate

Systemtic Name: [(1R,3R,4R)-3-azanyl-3-methoxycarbonyl-4-phenyl-cyclohexyl] benzoate Openeye Name: [(1R,3R,4R)-3-amino-3-methoxycarbonyl-4-phenyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,3R,4R)-3-amino-3-methoxycarbonyl-4-phenylcyclohexyl] ester IUPAC Name: [(1R,3R,4R)-3-amino-3-methoxycarbonyl-4-phenylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,3R,4R)-3-amino-3-carbomethoxy-4-phenyl-cyclohexyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(CCC1C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N

Isomeric SMILES

COC(=O)[C@]1(C[C@@H](CC[C@@H]1C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H23NO4/c1-25-20(24)21(22)14-17(26-19(23)16-10-6-3-7-11-16)12-13-18(21)15-8-4-2-5-9-15/h2-11,17-18H,12-14,22H2,1H3/t17-,18-,21-/m1/s1