4-[(3-phenoxyphenyl)methylamino]quinazoline-2-carboxylic acid

Systemtic Name: 4-[(3-phenoxyphenyl)methylamino]quinazoline-2-carboxylic acid Openeye Name: 4-[(3-phenoxyphenyl)methylamino]quinazoline-2-carboxylic acid CAS Name: 4-[(3-phenoxyphenyl)methylamino]-2-quinazolinecarboxylic acid IUPAC Name: 4-[(3-phenoxyphenyl)methylamino]quinazoline-2-carboxylic acid Traditional Name: 4-[(3-phenoxybenzyl)amino]quinazoline-2-carboxylic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H17N3O3/c26-22(27)21-24-19-12-5-4-11-18(19)20(25-21)23-14-15-7-6-10-17(13-15)28-16-8-2-1-3-9-16/h1-13H,14H2,(H,26,27)(H,23,24,25)