3-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]carbamoyl]benzoic acid Openeye Name: 3-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]carbamoyl]benzoic acid CAS Name: 3-[[5-(2-amino-6-chloro-4-quinazolinyl)-2-methylanilino]-oxomethyl]benzoic acid IUPAC Name: 3-[[5-(2-amino-6-chloroquinazolin-4-yl)-2-methylphenyl]carbamoyl]benzoic acid Traditional Name: 3-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]carbamoyl]benzoic acid Formula: C23H17ClN4O3 MolecularWeight: 432.85908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C23H17ClN4O3/c1-12-5-6-13(20-17-11-16(24)7-8-18(17)27-23(25)28-20)10-19(12)26-21(29)14-3-2-4-15(9-14)22(30)31/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)