2-(3-pyridin-4-ylpropoxymethyl)benzoic acid

Systemtic Name: 2-(3-pyridin-4-ylpropoxymethyl)benzoic acid Openeye Name: 2-[3-(4-pyridyl)propoxymethyl]benzoic acid CAS Name: 2-(3-pyridin-4-ylpropoxymethyl)benzoic acid IUPAC Name: 2-(3-pyridin-4-ylpropoxymethyl)benzoic acid Traditional Name: 2-[3-(4-pyridyl)propoxymethyl]benzoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCCCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)COCCCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C16H17NO3/c18-16(19)15-6-2-1-5-14(15)12-20-11-3-4-13-7-9-17-10-8-13/h1-2,5-10H,3-4,11-12H2,(H,18,19)