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

Systemtic Name: tert-butyl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C32H31N3O4 MolecularWeight: 521.60624

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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(C)(C)C

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(C)(C)C

InChI

InChI=1S/C32H31N3O4/c1-7-17-38-25-15-16-27-26(19-25)28(22-13-11-21(12-14-22)20(2)3)35-29(34-27)30(36)33-24-10-8-9-23(18-24)31(37)39-32(4,5)6/h1,8-16,18-20H,17H2,2-6H3,(H,33,36)