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

Systemtic Name: ethyl 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-3-methyl-benzimidazole-5-carboxylate CAS Name: 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]benzimidazole-5-carboxylate Traditional Name: 3-methyl-2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)benzimidazole-5-carboxylic acid ethyl ester Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2C)C3=NC4=C(C=C(C=C4)OCC#C)C(=N3)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2C)C3=NC4=C(C=C(C=C4)OCC#C)C(=N3)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C31H28N4O3/c1-6-16-38-23-13-15-25-24(18-23)28(21-10-8-20(9-11-21)19(3)4)34-29(32-25)30-33-26-14-12-22(31(36)37-7-2)17-27(26)35(30)5/h1,8-15,17-19H,7,16H2,2-5H3