methyl 2-oxidanyl-4-propyl-6-pyridin-4-yl-benzoate

Systemtic Name: methyl 2-oxidanyl-4-propyl-6-pyridin-4-yl-benzoate Openeye Name: methyl 2-hydroxy-4-propyl-6-(4-pyridyl)benzoate CAS Name: 2-hydroxy-4-propyl-6-pyridin-4-ylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-propyl-6-pyridin-4-ylbenzoate Traditional Name: 2-hydroxy-4-propyl-6-(4-pyridyl)benzoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C2=CC=NC=C2)C(=O)OC)O

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C2=CC=NC=C2)C(=O)OC)O

InChI

InChI=1S/C16H17NO3/c1-3-4-11-9-13(12-5-7-17-8-6-12)15(14(18)10-11)16(19)20-2/h5-10,18H,3-4H2,1-2H3