4-[[4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[[4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-1-oxooctyl]amino]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzoyl]amino]-4-keto-butyric acid Formula: C31H42N2O7 MolecularWeight: 554.67438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)NC(=O)CCC(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)NC(=O)CCC(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C31H42N2O7/c1-7-8-9-10-20(23-13-12-22(39-5)19-26(23)40-6)18-28(35)32-25-17-21(11-14-24(25)31(2,3)4)30(38)33-27(34)15-16-29(36)37/h11-14,17,19-20H,7-10,15-16,18H2,1-6H3,(H,32,35)(H,36,37)(H,33,34,38)