ethyl 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxy-quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxy-quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxy-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxy-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxyquinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]-5,8-dimethoxy-2-quinolyl]isonipecotic acid ethyl ester Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCC4COC5=CC=CC=C5O4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNCC4COC5=CC=CC=C5O4)OC)OC

InChI

InChI=1S/C29H35N3O6/c1-4-36-29(33)19-11-13-32(14-12-19)28-20(15-22-23(34-2)9-10-26(35-3)27(22)31-28)16-30-17-21-18-37-24-7-5-6-8-25(24)38-21/h5-10,15,19,21,30H,4,11-14,16-18H2,1-3H3