[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H25NO5 MolecularWeight: 431.4804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H25NO5/c1-17-8-9-18(2)21(14-17)27-26(29)25(20-6-4-3-5-7-20)32-24(28)13-11-19-10-12-22-23(15-19)31-16-30-22/h3-10,12,14-15,25H,11,13,16H2,1-2H3,(H,27,29)