methyl 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoate

Systemtic Name: methyl 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoate Openeye Name: methyl 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoate CAS Name: 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxyphenyl]-5-methyl-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[[3-[4-(hydroxymethyl)-2-methoxyphenyl]-5-methylhexanoyl]amino]benzoate Traditional Name: 4-tert-butyl-3-[[3-(2-methoxy-4-methylol-phenyl)-5-methyl-hexanoyl]amino]benzoic acid methyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(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/C27H37NO5/c1-17(2)12-20(21-10-8-18(16-29)13-24(21)32-6)15-25(30)28-23-14-19(26(31)33-7)9-11-22(23)27(3,4)5/h8-11,13-14,17,20,29H,12,15-16H2,1-7H3,(H,28,30)