3-[2-[(6-methyl-4-phenyl-quinazolin-2-yl)amino]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(6-methyl-4-phenyl-quinazolin-2-yl)amino]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(6-methyl-4-phenyl-quinazolin-2-yl)amino]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(6-methyl-4-phenyl-2-quinazolinyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-methyl-4-phenyl-quinazolin-2-yl)amino]acetyl]amino]benzoic acid Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H20N4O3/c1-15-10-11-20-19(12-15)22(16-6-3-2-4-7-16)28-24(27-20)25-14-21(29)26-18-9-5-8-17(13-18)23(30)31/h2-13H,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)