1H-isoindol-1-yl 4-acetamido-2-chloranyl-2-(1,8-naphthyridin-2-yl)-3-oxidanylidene-butanoate

Systemtic Name: 1H-isoindol-1-yl 4-acetamido-2-chloranyl-2-(1,8-naphthyridin-2-yl)-3-oxidanylidene-butanoate Openeye Name: 1H-isoindol-1-yl 4-acetamido-2-chloro-2-(1,8-naphthyridin-2-yl)-3-oxo-butanoate CAS Name: 4-acetamido-2-chloro-2-(1,8-naphthyridin-2-yl)-3-oxobutanoic acid 1H-isoindol-1-yl ester IUPAC Name: 1H-isoindol-1-yl 4-acetamido-2-chloro-2-(1,8-naphthyridin-2-yl)-3-oxobutanoate Traditional Name: 4-acetamido-2-chloro-3-keto-2-(1,8-naphthyridin-2-yl)butyric acid 1H-isoindol-1-yl ester Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)C(C1=NC2=C(C=CC=N2)C=C1)(C(=O)OC3C4=CC=CC=C4C=N3)Cl

Isomeric SMILES

CC(=O)NCC(=O)C(C1=NC2=C(C=CC=N2)C=C1)(C(=O)OC3C4=CC=CC=C4C=N3)Cl

InChI

InChI=1S/C22H17ClN4O4/c1-13(28)25-12-18(29)22(23,17-9-8-14-6-4-10-24-19(14)27-17)21(30)31-20-16-7-3-2-5-15(16)11-26-20/h2-11,20H,12H2,1H3,(H,25,28)