2-[4-(1-oxidanyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1-oxidanyl-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(1-hydroxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(1-hydroxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(1-hydroxy-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(1-hydroxy-3-keto-4,5,6,7-tetrahydro-1H-isoindol-2-yl)phenyl]acetic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(N(C2=O)C3=CC=C(C=C3)CC(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C(N(C2=O)C3=CC=C(C=C3)CC(=O)O)O

InChI

InChI=1S/C16H17NO4/c18-14(19)9-10-5-7-11(8-6-10)17-15(20)12-3-1-2-4-13(12)16(17)21/h5-8,15,20H,1-4,9H2,(H,18,19)