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

Systemtic Name: 3-[2-[(2-butanoyl-4-methoxy-3,5-dimethyl-phenyl)amino]ethanoylamino]-4-tert-butyl-benzoic acid Openeye Name: 3-[[2-(2-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-2-(1-oxobutyl)anilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-butanoyl-4-methoxy-3,5-dimethylanilino)acetyl]amino]-4-tert-butylbenzoic acid Traditional Name: 4-tert-butyl-3-[[2-(2-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)C1=C(C=C(C(=C1C)OC)C)NCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCCC(=O)C1=C(C=C(C(=C1C)OC)C)NCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

InChI

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