(2S)-2-(6-methoxynaphthalen-2-yl)-2-oxidanyl-ethanoic acid; (1S)-1-naphthalen-2-ylethanamine

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-oxidanyl-ethanoic acid; (1S)-1-naphthalen-2-ylethanamine Openeye Name: (2S)-2-hydroxy-2-(6-methoxy-2-naphthyl)acetic acid; (1S)-1-(2-naphthyl)ethanamine CAS Name: (2S)-2-hydroxy-2-(6-methoxy-2-naphthalenyl)acetic acid; (1S)-1-(2-naphthalenyl)ethanamine IUPAC Name: (2S)-2-hydroxy-2-(6-methoxynaphthalen-2-yl)acetic acid; (1S)-1-naphthalen-2-ylethanamine Traditional Name: (2S)-2-hydroxy-2-(6-methoxy-2-naphthyl)acetic acid; [(1S)-1-(2-naphthyl)ethyl]amine Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)N.COC1=CC2=C(C=C1)C=C(C=C2)C(C(=O)O)O

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)N.COC1=CC2=C(C=C1)C=C(C=C2)[C@@H](C(=O)O)O

InChI

InChI=1S/C13H12O4.C12H13N/c1-17-11-5-4-8-6-10(12(14)13(15)16)3-2-9(8)7-11;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-7,12,14H,1H3,(H,15,16);2-9H,13H2,1H3/t12-;9-/m00/s1