3-[3-(4-butanoyl-2-methoxy-phenyl)hexanoylamino]-4-tert-butyl-benzoic acid

Systemtic Name: 3-[3-(4-butanoyl-2-methoxy-phenyl)hexanoylamino]-4-tert-butyl-benzoic acid Openeye Name: 3-[3-(4-butanoyl-2-methoxy-phenyl)hexanoylamino]-4-tert-butyl-benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxobutyl)phenyl]-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[3-(4-butanoyl-2-methoxyphenyl)hexanoylamino]-4-tert-butylbenzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-butyryl-2-methoxy-phenyl)hexanoylamino]benzoic acid Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO5/c1-7-9-18(21-13-11-19(16-25(21)34-6)24(30)10-8-2)17-26(31)29-23-15-20(27(32)33)12-14-22(23)28(3,4)5/h11-16,18H,7-10,17H2,1-6H3,(H,29,31)(H,32,33)