5-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridine-3-carboxylic acid Openeye Name: 5-[(2-benzyloxy-5-chloro-phenyl)methyl]pyridine-3-carboxylic acid CAS Name: 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid Traditional Name: 5-(2-benzoxy-5-chloro-benzyl)nicotinic acid Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CN=CC(=C3)C(=O)O

InChI

InChI=1S/C20H16ClNO3/c21-18-6-7-19(25-13-14-4-2-1-3-5-14)16(10-18)8-15-9-17(20(23)24)12-22-11-15/h1-7,9-12H,8,13H2,(H,23,24)