3-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]benzoic acid Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c25-20(26)14-6-5-7-15(12-14)21-19-16-8-1-2-9-17(16)22-18(23-19)13-24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2,(H,25,26)(H,21,22,23)