5-oxidanylidene-5-[[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]amino]pentanoic acid Openeye Name: 5-[4-[4-(1-methyl-1-phenyl-ethyl)phenoxy]anilino]-5-oxo-pentanoic acid CAS Name: 5-oxo-5-[4-[4-(2-phenylpropan-2-yl)phenoxy]anilino]pentanoic acid IUPAC Name: 5-oxo-5-[4-[4-(2-phenylpropan-2-yl)phenoxy]anilino]pentanoic acid Traditional Name: 5-[4-(4-cumylphenoxy)anilino]-5-keto-valeric acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CCCC(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CCCC(=O)O

InChI

InChI=1S/C26H27NO4/c1-26(2,19-7-4-3-5-8-19)20-11-15-22(16-12-20)31-23-17-13-21(14-18-23)27-24(28)9-6-10-25(29)30/h3-5,7-8,11-18H,6,9-10H2,1-2H3,(H,27,28)(H,29,30)