[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-[(phenylmethyl)amino]butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-[(phenylmethyl)amino]butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-3-(benzylamino)butanoate CAS Name: (3S)-3-[(phenylmethyl)amino]butanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-(benzylamino)butanoate Traditional Name: (3S)-3-(benzylamino)butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C)NCC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@H](C)NCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H33NO2/c1-15(2)19-11-10-16(3)12-20(19)24-21(23)13-17(4)22-14-18-8-6-5-7-9-18/h5-9,15-17,19-20,22H,10-14H2,1-4H3/t16-,17+,19+,20-/m1/s1