methyl 3-methoxy-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-methoxy-5-[[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]-5-methoxy-benzoate CAS Name: 3-methoxy-5-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 3-methoxy-5-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C30H27N3O5 MolecularWeight: 509.55248

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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)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)OC

InChI

InChI=1S/C30H27N3O5/c1-6-13-38-23-11-12-26-25(17-23)27(20-9-7-19(8-10-20)18(2)3)33-28(32-26)29(34)31-22-14-21(30(35)37-5)15-24(16-22)36-4/h1,7-12,14-18H,13H2,2-5H3,(H,31,34)