methyl 4-[(E)-2-[6,7-dimethoxy-4-(2-pyridin-4-ylethylamino)quinazolin-2-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[6,7-dimethoxy-4-(2-pyridin-4-ylethylamino)quinazolin-2-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[6,7-dimethoxy-4-[2-(4-pyridyl)ethylamino]quinazolin-2-yl]vinyl]benzoate CAS Name: 4-[(E)-2-[6,7-dimethoxy-4-(2-pyridin-4-ylethylamino)-2-quinazolinyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[6,7-dimethoxy-4-(2-pyridin-4-ylethylamino)quinazolin-2-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[6,7-dimethoxy-4-[2-(4-pyridyl)ethylamino]quinazolin-2-yl]vinyl]benzoic acid methyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC=C(C=C3)C(=O)OC)NCCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)/C=C/C3=CC=C(C=C3)C(=O)OC)NCCC4=CC=NC=C4)OC

InChI

InChI=1S/C27H26N4O4/c1-33-23-16-21-22(17-24(23)34-2)30-25(9-6-18-4-7-20(8-5-18)27(32)35-3)31-26(21)29-15-12-19-10-13-28-14-11-19/h4-11,13-14,16-17H,12,15H2,1-3H3,(H,29,30,31)/b9-6+