4-[[(6-oxidanyl-7-oxidanylidene-2-piperidin-1-yl-1H-quinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-oxidanyl-7-oxidanylidene-2-piperidin-1-yl-1H-quinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[[6-hydroxy-7-oxo-2-(1-piperidyl)-1H-quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6-hydroxy-7-oxo-2-(1-piperidinyl)-1H-quinazolin-4-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-hydroxy-7-oxo-2-piperidin-1-yl-1H-quinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-hydroxy-7-keto-2-piperidino-1H-quinazolin-4-yl)amino]methyl]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C3C=C(C(=O)C=C3N2)O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NC(=C3C=C(C(=O)C=C3N2)O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N4O4/c26-17-10-15-16(11-18(17)27)23-21(25-8-2-1-3-9-25)24-19(15)22-12-13-4-6-14(7-5-13)20(28)29/h4-7,10-11,22,26H,1-3,8-9,12H2,(H,23,24)(H,28,29)