3-(3-pyridin-4-ylpropoxymethyl)benzoate

Systemtic Name: 3-(3-pyridin-4-ylpropoxymethyl)benzoate Openeye Name: 3-[3-(4-pyridyl)propoxymethyl]benzoate CAS Name: 3-(3-pyridin-4-ylpropoxymethyl)benzoate IUPAC Name: 3-(3-pyridin-4-ylpropoxymethyl)benzoate Traditional Name: 3-[3-(4-pyridyl)propoxymethyl]benzoate Formula: C16H16NO3- MolecularWeight: 270.30314

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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)/p-1