[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-keto-2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-16-7-5-6-10-20(16)23-21(24)15-26-22(25)19-13-11-18(12-14-19)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,24)/t16-,20-/m1/s1