3-oxidanylidene-2-(1-pyridin-4-ylethyl)-1H-isoindole-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(1-pyridin-4-ylethyl)-1H-isoindole-4-carboxylic acid Openeye Name: 3-oxo-2-[1-(4-pyridyl)ethyl]isoindoline-4-carboxylic acid CAS Name: 3-oxo-2-(1-pyridin-4-ylethyl)-1H-isoindole-4-carboxylic acid IUPAC Name: 3-oxo-2-(1-pyridin-4-ylethyl)-1H-isoindole-4-carboxylic acid Traditional Name: 3-keto-2-[1-(4-pyridyl)ethyl]isoindoline-4-carboxylic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)N2CC3=CC=CC(=C3C2=O)C(=O)O

Isomeric SMILES

CC(C1=CC=NC=C1)N2CC3=CC=CC(=C3C2=O)C(=O)O

InChI

InChI=1S/C16H14N2O3/c1-10(11-5-7-17-8-6-11)18-9-12-3-2-4-13(16(20)21)14(12)15(18)19/h2-8,10H,9H2,1H3,(H,20,21)