(4-methylphenyl) 4-(azepan-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (4-methylphenyl) 4-(azepan-1-yl)-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-(azepan-1-yl)-4-oxo-butanoate CAS Name: 4-(1-azepanyl)-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(azepan-1-yl)-4-oxobutanoate Traditional Name: 4-(azepan-1-yl)-4-keto-butyric acid p-tolyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H23NO3/c1-14-6-8-15(9-7-14)21-17(20)11-10-16(19)18-12-4-2-3-5-13-18/h6-9H,2-5,10-13H2,1H3