2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-methoxy-6-prop-2-enyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-methoxy-6-prop-2-enyl-phenoxy]propanoic acid Openeye Name: 2-[2-allyl-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxy-phenoxy]propanoic acid CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-prop-2-enylphenoxy]propanoic acid IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-prop-2-enylphenoxy]propanoic acid Traditional Name: 2-[2-allyl-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-methoxy-phenoxy]propionic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)CC=C

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)CC=C

InChI

InChI=1S/C22H21N3O6/c1-4-7-15-10-14(11-18(30-3)19(15)31-13(2)21(27)28)12-23-25-20(26)16-8-5-6-9-17(16)24-22(25)29/h4-6,8-13H,1,7H2,2-3H3,(H,24,29)(H,27,28)