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

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

Systemtic Name:1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinolin-2-yl]piperidine-4-carboxylic acid
Openeye Name:1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinolyl]piperidine-4-carboxylic acid
CAS Name:1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinolinyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinolin-2-yl]piperidine-4-carboxylic acid
Traditional Name:1-[6-chloro-4-(piperonylamino)-2-quinolyl]isonipecotic acid
Formula: C23H22ClN3O4
MolecularWeight: 439.89148
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=C2)NCC4=CC5=C(C=C4)OCO5


Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=C2)NCC4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C23H22ClN3O4/c24-16-2-3-18-17(10-16)19(25-12-14-1-4-20-21(9-14)31-13-30-20)11-22(26-18)27-7-5-15(6-8-27)23(28)29/h1-4,9-11,15H,5-8,12-13H2,(H,25,26)(H,28,29)


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