[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H25NO4/c1-17-10-12-18(13-11-17)22(26)19-8-4-5-9-20(19)23(27)28-16-21(25)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3