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

Systemtic Name: 4-[[6-[(3-methylphenyl)methylcarbamoyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(m-tolylmethylcarbamoyl)-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(3-methylphenyl)methylamino]-oxomethyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[(3-methylphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[(3-methylbenzyl)carbamoyl]quinazolin-3-yl]methyl]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-16-3-2-4-18(11-16)13-26-23(29)20-9-10-22-21(12-20)24(30)28(15-27-22)14-17-5-7-19(8-6-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)