2-oxidanyl-4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 2-hydroxy-4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]benzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C20H20N4O3/c25-17-11-13(7-8-15(17)20(26)27)21-19-14-5-1-2-6-16(14)22-18(23-19)12-24-9-3-4-10-24/h1-2,5-8,11,25H,3-4,9-10,12H2,(H,26,27)(H,21,22,23)