3-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid Openeye Name: 3-[1-oxo-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoic acid IUPAC Name: 3-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoic acid Traditional Name: 3-[1-keto-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]propionic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4CCC(=O)O

InChI

InChI=1S/C26H22N2O3/c1-16-10-12-17(13-11-16)24-23(20-8-4-5-9-21(20)27-24)25-18-6-2-3-7-19(18)26(31)28(25)15-14-22(29)30/h2-13,25,27H,14-15H2,1H3,(H,29,30)