methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-(dimethylaminomethyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(dimethylaminomethyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[4-(dimethylaminomethyl)-2-(piperonylcarbamoyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C27H27N3O6 MolecularWeight: 489.51978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H27N3O6/c1-30(2)15-18-4-10-22(29-25(31)19-6-8-20(9-7-19)27(33)34-3)21(12-18)26(32)28-14-17-5-11-23-24(13-17)36-16-35-23/h4-13H,14-16H2,1-3H3,(H,28,32)(H,29,31)