[(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] benzoate

Systemtic Name: [(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] benzoate Openeye Name: [(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] ester IUPAC Name: [(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohexyl] ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2CCCCC2OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N[C@H]2CCCC[C@@H]2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-16(17-10-4-2-5-11-17)22-19-14-8-9-15-20(19)24-21(23)18-12-6-3-7-13-18/h2-7,10-13,16,19-20,22H,8-9,14-15H2,1H3/t16-,19+,20+/m1/s1