4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-tert-amylphenoxy)benzyl]amino]-4-keto-butyric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O

InChI

InChI=1S/C22H27NO4/c1-4-22(2,3)17-7-11-19(12-8-17)27-18-9-5-16(6-10-18)15-23-20(24)13-14-21(25)26/h5-12H,4,13-15H2,1-3H3,(H,23,24)(H,25,26)