4-[[6-[(4-methylphenyl)methylcarbamoyl]-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(4-methylphenyl)methylcarbamoyl]-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(p-tolylmethylcarbamoyl)-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-methylphenyl)methylamino]-oxomethyl]-4-oxo-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[(4-methylbenzyl)carbamoyl]-1,2-dihydroquinazolin-3-yl]methyl]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NCN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NCN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23N3O4/c1-16-2-4-17(5-3-16)13-26-23(29)20-10-11-22-21(12-20)24(30)28(15-27-22)14-18-6-8-19(9-7-18)25(31)32/h2-12,27H,13-15H2,1H3,(H,26,29)(H,31,32)