[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O6/c1-13(2)20(25-21(27)15-5-3-4-6-16(15)23)22(28)29-11-19(26)24-10-14-7-8-17-18(9-14)31-12-30-17/h3-9,13,20H,10-12H2,1-2H3,(H,24,26)(H,25,27)