[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic 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-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C22H24N2O6/c1-13-4-6-17(8-14(13)2)22(27)24-11-20(25)30-15(3)21(26)23-10-16-5-7-18-19(9-16)29-12-28-18/h4-9,15H,10-12H2,1-3H3,(H,23,26)(H,24,27)