methyl 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[[methyl(piperonyl)amino]methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-14-16-6-4-5-7-17(16)23-18(21(14)22(25)26-3)12-24(2)11-15-8-9-19-20(10-15)28-13-27-19/h4-10H,11-13H2,1-3H3