[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C25H20ClNO6 MolecularWeight: 465.8824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO6/c1-15(24(29)27-13-16-6-11-21-22(12-16)32-14-31-21)33-25(30)20-5-3-2-4-19(20)23(28)17-7-9-18(26)10-8-17/h2-12,15H,13-14H2,1H3,(H,27,29)