(2S)-2-oxidanyl-2-phenyl-ethanoic acid; (1R,2S)-2-[(phenylmethyl)amino]cyclohexan-1-ol

Systemtic Name: (2S)-2-oxidanyl-2-phenyl-ethanoic acid; (1R,2S)-2-[(phenylmethyl)amino]cyclohexan-1-ol Openeye Name: (1R,2S)-2-(benzylamino)cyclohexanol; (2S)-2-hydroxy-2-phenyl-acetic acid CAS Name: (2S)-2-hydroxy-2-phenylacetic acid; (1R,2S)-2-[(phenylmethyl)amino]-1-cyclohexanol IUPAC Name: (1R,2S)-2-(benzylamino)cyclohexan-1-ol; (2S)-2-hydroxy-2-phenylacetic acid Traditional Name: (1R,2S)-2-(benzylamino)cyclohexanol; (2S)-2-hydroxy-2-phenyl-acetic acid Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NCC2=CC=CC=C2)O.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)NCC2=CC=CC=C2)O.C1=CC=C(C=C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C13H19NO.C8H8O3/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6-7,12-15H,4-5,8-10H2;1-5,7,9H,(H,10,11)/t12-,13+;7-/m00/s1