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

Systemtic Name: (2S)-2-oxidanyl-2-phenyl-ethanoic acid; (1S,2S)-2-[(phenylmethyl)amino]cyclopentan-1-ol Openeye Name: (1S,2S)-2-(benzylamino)cyclopentanol; (2S)-2-hydroxy-2-phenyl-acetic acid CAS Name: (2S)-2-hydroxy-2-phenylacetic acid; (1S,2S)-2-[(phenylmethyl)amino]-1-cyclopentanol IUPAC Name: (1S,2S)-2-(benzylamino)cyclopentan-1-ol; (2S)-2-hydroxy-2-phenylacetic acid Traditional Name: (1S,2S)-2-(benzylamino)cyclopentanol; (2S)-2-hydroxy-2-phenyl-acetic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)O)NCC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1C[C@@H]([C@H](C1)O)NCC2=CC=CC=C2.C1=CC=C(C=C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C12H17NO.C8H8O3/c14-12-8-4-7-11(12)13-9-10-5-2-1-3-6-10;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,5-6,11-14H,4,7-9H2;1-5,7,9H,(H,10,11)/t11-,12-;7-/m00/s1