(2S)-2-[4-(azepan-1-ylcarbonyl)phenoxy]propanoate

Systemtic Name: (2S)-2-[4-(azepan-1-ylcarbonyl)phenoxy]propanoate Openeye Name: (2S)-2-[4-(azepane-1-carbonyl)phenoxy]propanoate CAS Name: (2S)-2-[4-[1-azepanyl(oxo)methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-(azepane-1-carbonyl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(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=C(C=C1)C(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

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