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

Systemtic Name: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C31H29N3O4 MolecularWeight: 507.57966

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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

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

InChI

InChI=1S/C31H29N3O4/c1-6-16-37-25-14-15-27-26(18-25)28(22-12-10-21(11-13-22)19(2)3)34-29(33-27)30(35)32-24-9-7-8-23(17-24)31(36)38-20(4)5/h1,7-15,17-20H,16H2,2-5H3,(H,32,35)