[2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23NO4/c1-3-4-13-22-19(23)14-26-21(25)18-8-6-5-7-17(18)20(24)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,23)