3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(dimethylaminomethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N4O2/c1-22(2)11-16-20-15-9-4-3-8-14(15)17(21-16)19-13-7-5-6-12(10-13)18(23)24/h3-10H,11H2,1-2H3,(H,23,24)(H,19,20,21)