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

Systemtic Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propanoyl-phenyl)-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propanoyl-phenyl)-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxopropyl)phenyl]-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propanoylphenyl)-5-methylhexanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2-methoxy-4-propionyl-phenyl)-5-methyl-hexanoyl]amino]benzoic acid Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C28H37NO5/c1-8-24(30)18-9-11-21(25(15-18)34-7)20(13-17(2)3)16-26(31)29-23-14-19(27(32)33)10-12-22(23)28(4,5)6/h9-12,14-15,17,20H,8,13,16H2,1-7H3,(H,29,31)(H,32,33)