3-[6,7-bis(ethoxycarbonyloxy)-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[6,7-bis(ethoxycarbonyloxy)-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid Openeye Name: 3-[6,7-bis(ethoxycarbonyloxy)-4-methyl-2-oxo-quinazolin-1-yl]propanoic acid CAS Name: 3-[6,7-bis(ethoxycarbonyloxy)-4-methyl-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-[6,7-bis(ethoxycarbonyloxy)-4-methyl-2-oxoquinazolin-1-yl]propanoic acid Traditional Name: 3-(6,7-dicarbethoxyoxy-2-keto-4-methyl-quinazolin-1-yl)propionic acid Formula: C18H20N2O9 MolecularWeight: 408.3594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C2C(=C1)C(=NC(=O)N2CCC(=O)O)C)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C=C2C(=C1)C(=NC(=O)N2CCC(=O)O)C)OC(=O)OCC

InChI

InChI=1S/C18H20N2O9/c1-4-26-17(24)28-13-8-11-10(3)19-16(23)20(7-6-15(21)22)12(11)9-14(13)29-18(25)27-5-2/h8-9H,4-7H2,1-3H3,(H,21,22)