(1S)-1-(3-methylphenyl)ethanamine; (2S)-2-naphthalen-2-yl-2-oxidanyl-ethanoic acid

Systemtic Name: (1S)-1-(3-methylphenyl)ethanamine; (2S)-2-naphthalen-2-yl-2-oxidanyl-ethanoic acid Openeye Name: (2S)-2-hydroxy-2-(2-naphthyl)acetic acid; (1S)-1-(m-tolyl)ethanamine CAS Name: (2S)-2-hydroxy-2-(2-naphthalenyl)acetic acid; (1S)-1-(3-methylphenyl)ethanamine IUPAC Name: (2S)-2-hydroxy-2-naphthalen-2-ylacetic acid; (1S)-1-(3-methylphenyl)ethanamine Traditional Name: (2S)-2-hydroxy-2-(2-naphthyl)acetic acid; [(1S)-1-(m-tolyl)ethyl]amine Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)N.C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](C)N.C1=CC=C2C=C(C=CC2=C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C12H10O3.C9H13N/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10;1-7-4-3-5-9(6-7)8(2)10/h1-7,11,13H,(H,14,15);3-6,8H,10H2,1-2H3/t11-;8-/m00/s1