[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-23(26)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-14,16-17,21H,6-7,10,15H2,1-2H3,(H,24,25)/t16-,17+,21-/m0/s1