4-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-tert-butyl-5-methyl-phenoxy)benzyl]amino]-4-keto-butyrate Formula: C22H26NO4- MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

InChI

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