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

Systemtic Name: methyl 6-[[5-bromanyl-2-(cyclopentylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[5-bromo-2-(cyclopentylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(cyclopentylmethoxy)benzyl]-ethyl-amino]nicotinic acid methyl ester Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3/c1-3-25(21-11-8-17(13-24-21)22(26)27-2)14-18-12-19(23)9-10-20(18)28-15-16-6-4-5-7-16/h8-13,16H,3-7,14-15H2,1-2H3