6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)propan-2-ylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-(5-bromanyl-2-phenylmethoxy-phenyl)propan-2-ylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[2-(2-benzyloxy-5-bromo-phenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[1-(5-bromo-2-phenylmethoxyphenyl)propan-2-ylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(5-bromo-2-phenylmethoxyphenyl)propan-2-ylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-(2-benzoxy-5-bromo-phenyl)-1-methyl-ethyl]amino]nicotinic acid Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)NC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)NC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21BrN2O3/c1-15(25-21-10-7-17(13-24-21)22(26)27)11-18-12-19(23)8-9-20(18)28-14-16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)