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

Systemtic Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(p-anisylcarbamoyl)quinazolin-3-yl]methyl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)