[2-oxidanylidene-2-(pentylamino)ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO4/c1-2-3-6-13-23-19(24)14-27-21(26)18-8-5-4-7-17(18)20(25)15-9-11-16(22)12-10-15/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,24)