4-[[4-(2-tert-butyl-4-methoxy-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(2-tert-butyl-4-methoxy-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(2-tert-butyl-4-methoxy-phenoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(2-tert-butyl-4-methoxy-phenoxy)benzyl]amino]-4-keto-butyric acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-22(2,3)18-13-17(27-4)9-10-19(18)28-16-7-5-15(6-8-16)14-23-20(24)11-12-21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,23,24)(H,25,26)