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

Systemtic Name: 4-tert-butyl-3-[3-[2-methoxy-4-(2-methylpropanoyl)phenyl]octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[2-methoxy-4-(2-methylpropanoyl)phenyl]octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(2-methyl-1-oxopropyl)phenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[2-methoxy-4-(2-methylpropanoyl)phenyl]octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-isobutyryl-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)C(C)C)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)C(C)C)OC

InChI

InChI=1S/C30H41NO5/c1-8-9-10-11-20(23-14-12-21(17-26(23)36-7)28(33)19(2)3)18-27(32)31-25-16-22(29(34)35)13-15-24(25)30(4,5)6/h12-17,19-20H,8-11,18H2,1-7H3,(H,31,32)(H,34,35)