(2S)-3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]-3-methyl-butyrate Formula: C20H19N2O4- MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-12(2)17(20(25)26)21-18(23)15-10-6-7-13-11-22(19(24)16(13)15)14-8-4-3-5-9-14/h3-10,12,17H,11H2,1-2H3,(H,21,23)(H,25,26)/p-1/t17-/m0/s1