6-[(5-bromanyl-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-phenethyl-benzyl)-ethyl-amino]nicotinic acid Formula: C23H23BrN2O2 MolecularWeight: 439.34492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23BrN2O2/c1-2-26(22-13-11-19(15-25-22)23(27)28)16-20-14-21(24)12-10-18(20)9-8-17-6-4-3-5-7-17/h3-7,10-15H,2,8-9,16H2,1H3,(H,27,28)