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

Systemtic Name: 3-(4-methylphenyl)-3-(2-oxidanylideneazepan-3-yl)propanoic acid Openeye Name: 3-(2-oxoazepan-3-yl)-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-3-(2-oxo-3-azepanyl)propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-(2-oxoazepan-3-yl)propanoic acid Traditional Name: 3-(2-ketoazepan-3-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)C2CCCCNC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)C2CCCCNC2=O

InChI

InChI=1S/C16H21NO3/c1-11-5-7-12(8-6-11)14(10-15(18)19)13-4-2-3-9-17-16(13)20/h5-8,13-14H,2-4,9-10H2,1H3,(H,17,20)(H,18,19)