[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19ClN2O5/c1-13(19(26)23-15-7-4-6-14(22)12-15)29-18(25)10-5-11-24-20(27)16-8-2-3-9-17(16)21(24)28/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,26)/t13-/m1/s1