[(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] 3-[(diphenylmethyl)amino]butanoate

Systemtic Name: [(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] 3-[(diphenylmethyl)amino]butanoate Openeye Name: [(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] 3-(benzhydrylamino)butanoate CAS Name: 3-[(diphenylmethyl)amino]butanoic acid [(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] 3-(benzhydrylamino)butanoate Traditional Name: 3-(benzhydrylamino)butyric acid [(1R,2S)-2-(4-phenoxyphenyl)cyclohexyl] ester Formula: C35H37NO3 MolecularWeight: 519.67318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CCCCC1C2=CC=C(C=C2)OC3=CC=CC=C3)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(CC(=O)O[C@@H]1CCCC[C@H]1C2=CC=C(C=C2)OC3=CC=CC=C3)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H37NO3/c1-26(36-35(28-13-5-2-6-14-28)29-15-7-3-8-16-29)25-34(37)39-33-20-12-11-19-32(33)27-21-23-31(24-22-27)38-30-17-9-4-10-18-30/h2-10,13-18,21-24,26,32-33,35-36H,11-12,19-20,25H2,1H3/t26?,32-,33+/m0/s1