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

Systemtic Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxy-phenyl)-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxy-phenyl)-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxyphenyl)-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxyphenyl)-5-methylhexanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxy-phenyl)-5-methyl-hexanoyl]amino]benzoic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C27H37NO5/c1-8-33-24-16-20(32-7)10-11-21(24)19(13-17(2)3)15-25(29)28-23-14-18(26(30)31)9-12-22(23)27(4,5)6/h9-12,14,16-17,19H,8,13,15H2,1-7H3,(H,28,29)(H,30,31)