3-[3-(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]propanoic acid

Systemtic Name: 3-[3-(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]propanoic acid Openeye Name: 3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]propanoic acid CAS Name: 3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]propanoic acid IUPAC Name: 3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]propanoic acid Traditional Name: 3-[3-(4-keto-8-methyl-1H-quinazolin-2-yl)-4-propoxy-phenyl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCC(=O)O)C2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCC(=O)O)C2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C21H22N2O4/c1-3-11-27-17-9-7-14(8-10-18(24)25)12-16(17)20-22-19-13(2)5-4-6-15(19)21(26)23-20/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,24,25)(H,22,23,26)