6-[[5-bromanyl-2-(3-methylcyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(3-methylcyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(3-methylcyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[(3-methyl-1-cyclohex-2-enyl)oxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(3-methylcyclohex-2-en-1-yl)oxyphenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(3-methylcyclohex-2-en-1-yl)oxy-benzyl]-ethyl-amino]nicotinic acid Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC(=C2)C)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CCCC(=C2)C)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25BrN2O3/c1-3-25(21-10-7-16(13-24-21)22(26)27)14-17-12-18(23)8-9-20(17)28-19-6-4-5-15(2)11-19/h7-13,19H,3-6,14H2,1-2H3,(H,26,27)