3-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]propanoic acid

Systemtic Name: 3-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]propanoic acid Openeye Name: 3-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]propanoic acid CAS Name: 3-[5-(5-chloro-3-pyridinyl)-2-(diethylamino)-8-methoxy-7-quinazolinyl]propanoic acid IUPAC Name: 3-[5-(5-chloropyridin-3-yl)-2-(diethylamino)-8-methoxyquinazolin-7-yl]propanoic acid Traditional Name: 3-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]propionic acid Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)CCC(=O)O)C3=CC(=CN=C3)Cl

Isomeric SMILES

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)CCC(=O)O)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-4-26(5-2)21-24-12-17-16(14-8-15(22)11-23-10-14)9-13(6-7-18(27)28)20(29-3)19(17)25-21/h8-12H,4-7H2,1-3H3,(H,27,28)