methyl 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]propanoate

Systemtic Name: methyl 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxidanylidene-1H-isoindol-2-yl]propanoate Openeye Name: methyl 3-[(3S)-1-oxo-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]propanoate CAS Name: 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanoate Traditional Name: 3-[(3S)-1-keto-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-2-yl]propionic acid methyl ester Formula: C27H24N2O3 MolecularWeight: 424.49106

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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)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)[C@@H]4C5=CC=CC=C5C(=O)N4CCC(=O)OC

InChI

InChI=1S/C27H24N2O3/c1-17-11-13-18(14-12-17)25-24(21-9-5-6-10-22(21)28-25)26-19-7-3-4-8-20(19)27(31)29(26)16-15-23(30)32-2/h3-14,26,28H,15-16H2,1-2H3/t26-/m0/s1