2-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2-chloranyl-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-2-chloranyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-2-chloro-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-2-chlorophenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-2-chlorophenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-2-chloro-phenoxy]-2-phenyl-acetic acid Formula: C28H27ClN2O4 MolecularWeight: 490.97798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O4/c1-3-4-10-25-30-23-13-11-18(2)15-21(23)27(32)31(25)17-19-12-14-24(22(29)16-19)35-26(28(33)34)20-8-6-5-7-9-20/h5-9,11-16,26H,3-4,10,17H2,1-2H3,(H,33,34)