4-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-2,6-bis(oxidanylidene)piperidin-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-2,6-bis(oxidanylidene)piperidin-1-yl]benzoic acid Openeye Name: 4-[3-(2-methyl-4-oxo-quinazolin-3-yl)-2,6-dioxo-1-piperidyl]benzoic acid CAS Name: 4-[3-(2-methyl-4-oxo-3-quinazolinyl)-2,6-dioxo-1-piperidinyl]benzoic acid IUPAC Name: 4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid Traditional Name: 4-[2,6-diketo-3-(4-keto-2-methyl-quinazolin-3-yl)piperidino]benzoic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17N3O5/c1-12-22-16-5-3-2-4-15(16)19(26)23(12)17-10-11-18(25)24(20(17)27)14-8-6-13(7-9-14)21(28)29/h2-9,17H,10-11H2,1H3,(H,28,29)