(2S)-2-[3-(azepan-1-ylcarbonyl)phenoxy]propanoate

Systemtic Name: (2S)-2-[3-(azepan-1-ylcarbonyl)phenoxy]propanoate Openeye Name: (2S)-2-[3-(azepane-1-carbonyl)phenoxy]propanoate CAS Name: (2S)-2-[3-[1-azepanyl(oxo)methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[3-(azepane-1-carbonyl)phenoxy]propanoate Traditional Name: (2S)-2-[3-(azepane-1-carbonyl)phenoxy]propionate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C(=O)N2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=CC(=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO4/c1-12(16(19)20)21-14-8-6-7-13(11-14)15(18)17-9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,20)/p-1/t12-/m0/s1