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

Systemtic Name: 4-[[1-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxidanylidene-2H-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-4-oxo-6-(p-tolylmethylcarbamoyl)-2H-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-6-[[(4-methylphenyl)methylamino]-oxomethyl]-4-oxo-2H-quinazolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-2H-quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-[(4-methylbenzyl)carbamoyl]-2H-quinazolin-3-yl]methyl]benzoic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4/c1-17-3-5-18(6-4-17)14-27-24(30)21-11-12-23-22(13-21)25(31)29(16-28(23)2)15-19-7-9-20(10-8-19)26(32)33/h3-13H,14-16H2,1-2H3,(H,27,30)(H,32,33)