[2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl] 4-methylbenzoate Openeye Name: (1-benzoyl-2-oxo-azepan-3-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1-benzoyl-2-oxo-3-azepanyl) ester IUPAC Name: (1-benzoyl-2-oxoazepan-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (1-benzoyl-2-keto-azepan-3-yl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-15-10-12-17(13-11-15)21(25)26-18-9-5-6-14-22(20(18)24)19(23)16-7-3-2-4-8-16/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3