4-tert-butyl-3-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanoylamino]benzoic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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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=C3C(=CC=C2)OCCO3

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C27H35NO5/c1-5-6-7-9-18(20-10-8-11-23-25(20)33-15-14-32-23)17-24(29)28-22-16-19(26(30)31)12-13-21(22)27(2,3)4/h8,10-13,16,18H,5-7,9,14-15,17H2,1-4H3,(H,28,29)(H,30,31)