(2S)-2-methoxy-2-phenyl-ethanoic acid; (S)-phenyl(pyridin-2-yl)methanamine

Systemtic Name: (2S)-2-methoxy-2-phenyl-ethanoic acid; (S)-phenyl(pyridin-2-yl)methanamine Openeye Name: (2S)-2-methoxy-2-phenyl-acetic acid; (S)-phenyl(2-pyridyl)methanamine CAS Name: (2S)-2-methoxy-2-phenylacetic acid; (S)-phenyl(2-pyridinyl)methanamine IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid; (S)-phenyl(pyridin-2-yl)methanamine Traditional Name: (2S)-2-methoxy-2-phenyl-acetic acid; [(S)-phenyl(2-pyridyl)methyl]amine Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=N2)N

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)O.C1=CC=C(C=C1)[C@@H](C2=CC=CC=N2)N

InChI

InChI=1S/C12H12N2.C9H10O3/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;1-12-8(9(10)11)7-5-3-2-4-6-7/h1-9,12H,13H2;2-6,8H,1H3,(H,10,11)/t12-;8-/m00/s1