ethyl 4-[3-[[1,3-benzodioxol-5-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]-8-methyl-quinolin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[1,3-benzodioxol-5-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]-8-methyl-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[1,3-benzodioxole-5-carbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-8-methyl-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-8-methylquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[8-methyl-3-[[piperonyloyl(tetrahydrofurfuryl)amino]methyl]-2-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C31H36N4O6 MolecularWeight: 560.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)CN(CC4CCCO4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)CN(CC4CCCO4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H36N4O6/c1-3-38-31(37)34-13-11-33(12-14-34)29-24(16-22-7-4-6-21(2)28(22)32-29)18-35(19-25-8-5-15-39-25)30(36)23-9-10-26-27(17-23)41-20-40-26/h4,6-7,9-10,16-17,25H,3,5,8,11-15,18-20H2,1-2H3