3-[2-[butanoyl-(4-methoxy-3,5-dimethyl-phenyl)amino]ethanoylamino]-4-tert-butyl-benzoic acid

Systemtic Name: 3-[2-[butanoyl-(4-methoxy-3,5-dimethyl-phenyl)amino]ethanoylamino]-4-tert-butyl-benzoic acid Openeye Name: 3-[[2-(N-butanoyl-4-methoxy-3,5-dimethyl-anilino)acetyl]amino]-4-tert-butyl-benzoic acid CAS Name: 4-tert-butyl-3-[[2-[4-methoxy-3,5-dimethyl-N-(1-oxobutyl)anilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(N-butanoyl-4-methoxy-3,5-dimethylanilino)acetyl]amino]-4-tert-butylbenzoic acid Traditional Name: 4-tert-butyl-3-[[2-(N-butyryl-4-methoxy-3,5-dimethyl-anilino)acetyl]amino]benzoic acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C(=C2)C)OC)C

Isomeric SMILES

CCCC(=O)N(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C(=C2)C)OC)C

InChI

InChI=1S/C26H34N2O5/c1-8-9-23(30)28(19-12-16(2)24(33-7)17(3)13-19)15-22(29)27-21-14-18(25(31)32)10-11-20(21)26(4,5)6/h10-14H,8-9,15H2,1-7H3,(H,27,29)(H,31,32)