[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-benzyl-3-methylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester Formula: C24H21NO5 MolecularWeight: 403.42724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21NO5/c1-17-6-5-9-20(12-17)25(14-18-7-3-2-4-8-18)23(26)15-28-24(27)19-10-11-21-22(13-19)30-16-29-21/h2-13H,14-16H2,1H3