4-(azepan-1-yl)-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-(azepan-1-yl)-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-(azepan-1-yl)-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-(1-azepanyl)-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-(azepan-1-yl)-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(azepan-1-yl)-4-keto-2-methyl-2-phenyl-butyric acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCCCC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC(=O)N1CCCCCC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23NO3/c1-17(16(20)21,14-9-5-4-6-10-14)13-15(19)18-11-7-2-3-8-12-18/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,20,21)