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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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