2-[[2-(3-azanylpiperidin-1-yl)-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 2-[[2-(3-amino-1-piperidyl)-6,7-dimethoxy-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 2-[[2-(3-amino-1-piperidinyl)-6,7-dimethoxy-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-6,7-dimethoxy-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 2-[[2-(3-aminopiperidino)-4-keto-6,7-dimethoxy-quinazolin-3-yl]methyl]benzoic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C23H26N4O5/c1-31-19-10-17-18(11-20(19)32-2)25-23(26-9-5-7-15(24)13-26)27(21(17)28)12-14-6-3-4-8-16(14)22(29)30/h3-4,6,8,10-11,15H,5,7,9,12-13,24H2,1-2H3,(H,29,30)