3-(1-pyridin-3-ylethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: 3-(1-pyridin-3-ylethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: 3-[1-(3-pyridyl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: 3-[oxo-[1-(3-pyridinyl)ethoxy]methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 3-(1-pyridin-3-ylethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: 3-[1-(3-pyridyl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)OC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CC(C1=CN=CC=C1)OC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C16H17NO4/c1-9(12-3-2-6-17-8-12)21-16(20)14-11-5-4-10(7-11)13(14)15(18)19/h2-6,8-11,13-14H,7H2,1H3,(H,18,19)