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

Systemtic Name: methyl 2,5-bis(chloranyl)-3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2,5-dichloro-3-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzoate CAS Name: 2,5-dichloro-3-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,5-dichloro-3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 2,5-dichloro-3-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C29H23Cl2N3O4 MolecularWeight: 548.41662

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23Cl2N3O4/c1-5-12-38-20-10-11-23-21(15-20)26(18-8-6-17(7-9-18)16(2)3)34-27(32-23)28(35)33-24-14-19(30)13-22(25(24)31)29(36)37-4/h1,6-11,13-16H,12H2,2-4H3,(H,33,35)