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

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-ynyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-prop-2-ynyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-propargyl-amino]nicotinic acid Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O3/c1-2-12-26(22-11-8-18(14-25-22)23(27)28)15-19-13-20(24)9-10-21(19)29-16-17-6-4-3-5-7-17/h1,3-11,13-14H,12,15-16H2,(H,27,28)