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

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-propanoyl-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2-methoxy-4-propanoyl-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(1-oxopropyl)phenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-propanoylphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2-methoxy-4-propionyl-phenyl)octanoylamino]benzoic acid Formula: C29H39NO5 MolecularWeight: 481.62366

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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)CC)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)CC)OC

InChI

InChI=1S/C29H39NO5/c1-7-9-10-11-19(22-14-12-20(25(31)8-2)17-26(22)35-6)18-27(32)30-24-16-21(28(33)34)13-15-23(24)29(3,4)5/h12-17,19H,7-11,18H2,1-6H3,(H,30,32)(H,33,34)