2-[3-(2-azanylquinazolin-6-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(2-azanylquinazolin-6-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(2-aminoquinazolin-6-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(2-amino-6-quinazolinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(2-aminoquinazolin-6-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(2-aminoquinazolin-6-yl)propanoylamino]benzoic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=CN=C(N=C3C=C2)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=CN=C(N=C3C=C2)N

InChI

InChI=1S/C18H16N4O3/c19-18-20-10-12-9-11(5-7-14(12)22-18)6-8-16(23)21-15-4-2-1-3-13(15)17(24)25/h1-5,7,9-10H,6,8H2,(H,21,23)(H,24,25)(H2,19,20,22)