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

Systemtic Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-4-oxidanylidene-2H-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-4-oxo-2H-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-methyl-4-oxo-2H-quinazolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-4-oxo-2H-quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-(p-anisylcarbamoyl)-2H-quinazolin-3-yl]methyl]benzoic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CN(C(=O)C2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H25N3O5/c1-28-16-29(15-18-3-7-19(8-4-18)26(32)33)25(31)22-13-20(9-12-23(22)28)24(30)27-14-17-5-10-21(34-2)11-6-17/h3-13H,14-16H2,1-2H3,(H,27,30)(H,32,33)