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

Systemtic Name: 6-[[5-bromanyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(3,5,5-trimethylcyclohex-2-en-1-yl)oxy-phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[(3,5,5-trimethyl-1-cyclohex-2-enyl)oxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(3,5,5-trimethylcyclohex-2-en-1-yl)oxyphenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(3,5,5-trimethylcyclohex-2-en-1-yl)oxy-benzyl]-ethyl-amino]nicotinic acid Formula: C24H29BrN2O3 MolecularWeight: 473.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CC(CC(=C2)C)(C)C)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CC(CC(=C2)C)(C)C)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H29BrN2O3/c1-5-27(22-9-6-17(14-26-22)23(28)29)15-18-11-19(25)7-8-21(18)30-20-10-16(2)12-24(3,4)13-20/h6-11,14,20H,5,12-13,15H2,1-4H3,(H,28,29)