methyl 2-[[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-cyclopropyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2-cyclopropyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(2-cyclopropyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-cyclopropyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(2-cyclopropyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CC4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CC4

InChI

InChI=1S/C22H20N2O5/c1-29-22(28)18(11-13-5-3-2-4-6-13)23-19(25)14-7-10-16-17(12-14)21(27)24(20(16)26)15-8-9-15/h2-7,10,12,15,18H,8-9,11H2,1H3,(H,23,25)