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

Systemtic Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxy-phenyl]octanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxy-phenyl]octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxyphenyl]-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxyphenyl]octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylol-phenyl)octanoylamino]benzoic acid methyl ester Formula: C28H39NO5 MolecularWeight: 469.61296

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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)CO)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO5/c1-7-8-9-10-20(22-13-11-19(18-30)15-25(22)33-5)17-26(31)29-24-16-21(27(32)34-6)12-14-23(24)28(2,3)4/h11-16,20,30H,7-10,17-18H2,1-6H3,(H,29,31)