methyl 4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]benzoate CAS Name: 4-[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]benzoate Traditional Name: 4-(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)benzoic acid methyl ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H24N2O4/c1-5-16-35-23-14-15-25-24(17-23)26(20-8-6-19(7-9-20)18(2)3)31-28(30-25)27(32)21-10-12-22(13-11-21)29(33)34-4/h1,6-15,17-18H,16H2,2-4H3