6-[[5-bromanyl-2-(cyclopentylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(cyclopentylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(cyclopentylmethoxy)benzyl]-ethyl-amino]nicotinic acid Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2CCCC2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2CCCC2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25BrN2O3/c1-2-24(20-10-7-16(12-23-20)21(25)26)13-17-11-18(22)8-9-19(17)27-14-15-5-3-4-6-15/h7-12,15H,2-6,13-14H2,1H3,(H,25,26)