[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

InChI

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