[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H22N2O6/c1-16-7-10-19(11-8-16)27-25(30)23(17-5-3-2-4-6-17)33-22(28)14-26-24(29)18-9-12-20-21(13-18)32-15-31-20/h2-13,23H,14-15H2,1H3,(H,26,29)(H,27,30)