3-(4-methylphenyl)-3-(7-oxidanylideneazepan-2-yl)propanoic acid

Systemtic Name: 3-(4-methylphenyl)-3-(7-oxidanylideneazepan-2-yl)propanoic acid Openeye Name: 3-(7-oxoazepan-2-yl)-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-3-(7-oxo-2-azepanyl)propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-(7-oxoazepan-2-yl)propanoic acid Traditional Name: 3-(7-ketoazepan-2-yl)-3-(p-tolyl)propionic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)C2CCCCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)C2CCCCC(=O)N2

InChI

InChI=1S/C16H21NO3/c1-11-6-8-12(9-7-11)13(10-16(19)20)14-4-2-3-5-15(18)17-14/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)(H,19,20)