ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-chloro-4-(piperonylamino)-2-quinolyl]isonipecotic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26ClN3O4/c1-2-31-25(30)17-7-9-29(10-8-17)24-13-21(19-12-18(26)4-5-20(19)28-24)27-14-16-3-6-22-23(11-16)33-15-32-22/h3-6,11-13,17H,2,7-10,14-15H2,1H3,(H,27,28)