methyl 3-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(1-methylene-3-oxo-isoindolin-2-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(1-methylene-3-oxo-2-isoindolyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(1-keto-3-methylene-isoindolin-2-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4/c1-14-16-10-6-7-11-17(16)21(26)23(14)13-19(24)22-18(12-20(25)27-2)15-8-4-3-5-9-15/h3-11,18H,1,12-13H2,2H3,(H,22,24)