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

Systemtic Name: 4-[[6-[2-(3-methoxyphenyl)ethanoylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[[2-(3-methoxyphenyl)acetyl]amino]quinazolin-3-yl]methyl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

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