3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzoic acid

Systemtic Name: 3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzoic acid Openeye Name: 3-[[3-(4-butanoyl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]-4-tert-butyl-benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxobutyl)phenyl]-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-butanoyl-2-methoxyphenyl)-5-methylhexanoyl]amino]-4-tert-butylbenzoic acid Traditional Name: 4-tert-butyl-3-[[3-(4-butyryl-2-methoxy-phenyl)-5-methyl-hexanoyl]amino]benzoic acid Formula: C29H39NO5 MolecularWeight: 481.62366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO5/c1-8-9-25(31)19-10-12-22(26(16-19)35-7)21(14-18(2)3)17-27(32)30-24-15-20(28(33)34)11-13-23(24)29(4,5)6/h10-13,15-16,18,21H,8-9,14,17H2,1-7H3,(H,30,32)(H,33,34)