2-[4-[(2-butyl-5-methoxycarbonyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid Openeye Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid CAS Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-methyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-5-methoxycarbonyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Traditional Name: 2-[4-[(2-butyl-5-carbomethoxy-4-keto-6-methyl-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Formula: C30H29ClN2O6 MolecularWeight: 549.01406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=C(C=C2)C)C(=O)OC)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C(=C(C=C2)C)C(=O)OC)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C30H29ClN2O6/c1-4-5-10-24-32-23-16-11-18(2)25(30(37)38-3)26(23)28(34)33(24)17-19-12-14-20(15-13-19)39-27(29(35)36)21-8-6-7-9-22(21)31/h6-9,11-16,27H,4-5,10,17H2,1-3H3,(H,35,36)