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

Systemtic Name: 6-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(1-cyclohex-2-enyloxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-benzyl)-ethyl-amino]nicotinic acid Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-2-24(20-11-8-15(13-23-20)21(25)26)14-16-12-17(22)9-10-19(16)27-18-6-4-3-5-7-18/h4,6,8-13,18H,2-3,5,7,14H2,1H3,(H,25,26)