(2S)-2-[(1S)-1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid

Systemtic Name: (2S)-2-[(1S)-1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoic acid Openeye Name: (2S)-2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-isoindolin-2-yl]propanoic acid CAS Name: (2S)-2-[(1S)-1-(1-methyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]propanoic acid IUPAC Name: (2S)-2-[(1S)-1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoic acid Traditional Name: (2S)-2-[(3S)-1-keto-3-(1-methylindol-3-yl)isoindolin-2-yl]propionic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

C[C@@H](C(=O)O)N1[C@@H](C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C20H18N2O3/c1-12(20(24)25)22-18(14-8-3-4-9-15(14)19(22)23)16-11-21(2)17-10-6-5-7-13(16)17/h3-12,18H,1-2H3,(H,24,25)/t12-,18-/m0/s1