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

Systemtic Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxy-phenyl]hexanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxy-phenyl]hexanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxyphenyl]-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-[4-(hydroxymethyl)-2-methoxyphenyl]hexanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylol-phenyl)hexanoylamino]benzoic acid methyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C26H35NO5/c1-7-8-18(20-11-9-17(16-28)13-23(20)31-5)15-24(29)27-22-14-19(25(30)32-6)10-12-21(22)26(2,3)4/h9-14,18,28H,7-8,15-16H2,1-6H3,(H,27,29)