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

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-methyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-methyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-methyl-amino]nicotinic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19BrN2O3/c1-24(20-10-7-16(12-23-20)21(25)26)13-17-11-18(22)8-9-19(17)27-14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,26)