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

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-prop-2-enyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[allyl-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-prop-2-enylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-prop-2-enylamino]pyridine-3-carboxylic acid Traditional Name: 6-[allyl-[2-(2-benzoxy-5-bromo-phenyl)ethyl]amino]nicotinic acid Formula: C24H23BrN2O3 MolecularWeight: 467.35502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H23BrN2O3/c1-2-13-27(23-11-8-20(16-26-23)24(28)29)14-12-19-15-21(25)9-10-22(19)30-17-18-6-4-3-5-7-18/h2-11,15-16H,1,12-14,17H2,(H,28,29)