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

Systemtic Name: 4-[[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[4-(2-tert-butyl-4-ethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(2-tert-butyl-4-ethylphenoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[4-(2-tert-butyl-4-ethyl-phenoxy)benzyl]amino]-4-keto-butyric acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CNC(=O)CCC(=O)O)C(C)(C)C

InChI

InChI=1S/C23H29NO4/c1-5-16-8-11-20(19(14-16)23(2,3)4)28-18-9-6-17(7-10-18)15-24-21(25)12-13-22(26)27/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,25)(H,26,27)