ethyl 4-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-quinolin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxy-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[(4-fluorophenyl)methylamino]methyl]-6,7-dimethoxyquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(4-fluorobenzyl)amino]methyl]-6,7-dimethoxy-2-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31FN4O4 MolecularWeight: 482.547143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)CNCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O4/c1-4-35-26(32)31-11-9-30(10-12-31)25-20(17-28-16-18-5-7-21(27)8-6-18)13-19-14-23(33-2)24(34-3)15-22(19)29-25/h5-8,13-15,28H,4,9-12,16-17H2,1-3H3