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

Systemtic Name: 3-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]propanoic acid Openeye Name: 3-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[6-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-methyl-2,4-dioxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2,4-diketo-1-methyl-6-(p-anisylcarbamoyl)quinazolin-3-yl]propionic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)C(=O)N(C1=O)CCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)C(=O)N(C1=O)CCC(=O)O

InChI

InChI=1S/C21H21N3O6/c1-23-17-8-5-14(19(27)22-12-13-3-6-15(30-2)7-4-13)11-16(17)20(28)24(21(23)29)10-9-18(25)26/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,25,26)