2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-phthalimidopropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C21H18N2O5/c24-18(9-10-22-19(25)15-7-3-4-8-16(15)20(22)26)23-12-14-6-2-1-5-13(14)11-17(23)21(27)28/h1-8,17H,9-12H2,(H,27,28)