methyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 3-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C29H25N3O4/c1-5-15-36-23-13-14-25-24(17-23)26(20-11-9-19(10-12-20)18(2)3)32-27(31-25)28(33)30-22-8-6-7-21(16-22)29(34)35-4/h1,6-14,16-18H,15H2,2-4H3,(H,30,33)