3-(4-methoxyphenyl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-(4-methoxyphenyl)propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O5/c1-29-15-8-6-14(7-9-15)18(12-20(26)27)23-19(25)10-11-24-13-22-17-5-3-2-4-16(17)21(24)28/h2-9,13,18H,10-12H2,1H3,(H,23,25)(H,26,27)