3-(3,4-dimethoxyphenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]propanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]propionic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CN2C=NC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)CN2C=NC3=CC=CC=C3C2=O)OC

InChI

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