(3S)-3-(3,4-dimethoxyphenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoate

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoate Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]propanoate IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]propionate Formula: C21H20N3O6- MolecularWeight: 410.4

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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@H](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)/p-1/t16-/m0/s1