3-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-1H-quinazolin-2-yl]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-1H-quinazolin-2-yl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-1H-quinazolin-2-yl]propanoic acid CAS Name: 3-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-1H-quinazolin-2-yl]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-1H-quinazolin-2-yl]propanoic acid Traditional Name: 3-[2-(4-chlorophenyl)-4-keto-3-(4-methoxyphenyl)-1H-quinazolin-2-yl]propionic acid Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2(CCC(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2(CCC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2O4/c1-31-19-12-10-18(11-13-19)27-23(30)20-4-2-3-5-21(20)26-24(27,15-14-22(28)29)16-6-8-17(25)9-7-16/h2-13,26H,14-15H2,1H3,(H,28,29)