2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid

Systemtic Name: 2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid Openeye Name: 2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid CAS Name: 2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-7-quinazolinyl]-2-propenoic acid IUPAC Name: 2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxyquinazolin-7-yl]prop-2-enoic acid Traditional Name: 2-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]acrylic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C(=C)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C(=C)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H18N4O3/c1-12(20(26)27)15-9-16(14-7-5-6-13(8-14)10-22)17-11-23-21(25(2)3)24-18(17)19(15)28-4/h5-9,11H,1H2,2-4H3,(H,26,27)