methyl 4-tert-butyl-3-[3-[2-methoxy-4-(1-oxidanylbutyl)phenyl]octanoylamino]benzoate

Systemtic Name: methyl 4-tert-butyl-3-[3-[2-methoxy-4-(1-oxidanylbutyl)phenyl]octanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-[4-(1-hydroxybutyl)-2-methoxy-phenyl]octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-[4-(1-hydroxybutyl)-2-methoxyphenyl]-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-[4-(1-hydroxybutyl)-2-methoxyphenyl]octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-[4-(1-hydroxybutyl)-2-methoxy-phenyl]octanoylamino]benzoic acid methyl ester Formula: C31H45NO5 MolecularWeight: 511.6927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C)C2=C(C=C(C=C2)C(CCC)O)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C)C2=C(C=C(C=C2)C(CCC)O)OC

InChI

InChI=1S/C31H45NO5/c1-8-10-11-13-21(24-16-14-22(19-28(24)36-6)27(33)12-9-2)20-29(34)32-26-18-23(30(35)37-7)15-17-25(26)31(3,4)5/h14-19,21,27,33H,8-13,20H2,1-7H3,(H,32,34)