3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-3-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]benzimidazole-5-carboxylic acid Traditional Name: 3-methyl-2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)benzimidazole-5-carboxylic acid Formula: C29H24N4O3 MolecularWeight: 476.52586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4C)C=C(C=C5)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4C)C=C(C=C5)C(=O)O

InChI

InChI=1S/C29H24N4O3/c1-5-14-36-21-11-13-23-22(16-21)26(19-8-6-18(7-9-19)17(2)3)32-27(30-23)28-31-24-12-10-20(29(34)35)15-25(24)33(28)4/h1,6-13,15-17H,14H2,2-4H3,(H,34,35)