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

Systemtic Name: 3-[3-(4-butanoyl-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoic acid Openeye Name: 3-[3-(4-butanoyl-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxobutyl)phenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 3-[3-(4-butanoyl-2-methoxyphenyl)octanoylamino]-4-tert-butylbenzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-butyryl-2-methoxy-phenyl)octanoylamino]benzoic acid Formula: C30H41NO5 MolecularWeight: 495.65024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(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

CCCCCC(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/C30H41NO5/c1-7-9-10-12-20(23-15-13-21(18-27(23)36-6)26(32)11-8-2)19-28(33)31-25-17-22(29(34)35)14-16-24(25)30(3,4)5/h13-18,20H,7-12,19H2,1-6H3,(H,31,33)(H,34,35)