[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO5/c1-15-10-16(2)12-19(11-15)25-23(26)22(17-6-4-3-5-7-17)30-24(27)18-8-9-20-21(13-18)29-14-28-20/h3-13,22H,14H2,1-2H3,(H,25,26)