4-chloranyl-3-[(2-propan-2-ylquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2-propan-2-ylquinazolin-4-yl)amino]benzoic acid Openeye Name: 4-chloro-3-[(2-isopropylquinazolin-4-yl)amino]benzoic acid CAS Name: 4-chloro-3-[(2-propan-2-yl-4-quinazolinyl)amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-propan-2-ylquinazolin-4-yl)amino]benzoic acid Traditional Name: 4-chloro-3-[(2-isopropylquinazolin-4-yl)amino]benzoic acid Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H16ClN3O2/c1-10(2)16-20-14-6-4-3-5-12(14)17(22-16)21-15-9-11(18(23)24)7-8-13(15)19/h3-10H,1-2H3,(H,23,24)(H,20,21,22)