(2S)-2-[3-(azepan-1-ylmethyl)phenoxy]propanoic acid

Systemtic Name: (2S)-2-[3-(azepan-1-ylmethyl)phenoxy]propanoic acid Openeye Name: (2S)-2-[3-(azepan-1-ylmethyl)phenoxy]propanoic acid CAS Name: (2S)-2-[3-(1-azepanylmethyl)phenoxy]propanoic acid IUPAC Name: (2S)-2-[3-(azepan-1-ylmethyl)phenoxy]propanoic acid Traditional Name: (2S)-2-[3-(azepan-1-ylmethyl)phenoxy]propionic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)CN2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)O)OC1=CC=CC(=C1)CN2CCCCCC2

InChI

InChI=1S/C16H23NO3/c1-13(16(18)19)20-15-8-6-7-14(11-15)12-17-9-4-2-3-5-10-17/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,18,19)/t13-/m0/s1