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

Systemtic Name: 6-[[5-bromanyl-2-(2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(5-isopropenyl-2-methyl-cyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[[2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl]oxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyphenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(5-isopropenyl-2-methyl-cyclohex-2-en-1-yl)oxy-benzyl]-ethyl-amino]nicotinic acid Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CC(CC=C2C)C(=C)C)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CC(CC=C2C)C(=C)C)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H29BrN2O3/c1-5-28(24-11-8-19(14-27-24)25(29)30)15-20-12-21(26)9-10-22(20)31-23-13-18(16(2)3)7-6-17(23)4/h6,8-12,14,18,23H,2,5,7,13,15H2,1,3-4H3,(H,29,30)