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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-quinazolin-2-yl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-4-oxo-3-(p-tolylmethyl)-1H-quinazolin-2-yl]propanoic acid CAS Name: 3-[2-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-4-oxo-1H-quinazolin-2-yl]propanoic acid Traditional Name: 3-[2-(4-chlorophenyl)-4-keto-3-(4-methylbenzyl)-1H-quinazolin-2-yl]propionic acid Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2(CCC(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2(CCC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O3/c1-17-6-8-18(9-7-17)16-28-24(31)21-4-2-3-5-22(21)27-25(28,15-14-23(29)30)19-10-12-20(26)13-11-19/h2-13,27H,14-16H2,1H3,(H,29,30)