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

Systemtic Name: methyl 4-tert-butyl-3-[3-(4-ethanoyl-2-methoxy-phenyl)octanoylamino]benzoate Openeye Name: methyl 3-[3-(4-acetyl-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoate CAS Name: 3-[[3-(4-acetyl-2-methoxyphenyl)-1-oxooctyl]amino]-4-tert-butylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-acetyl-2-methoxyphenyl)octanoylamino]-4-tert-butylbenzoate Traditional Name: 3-[3-(4-acetyl-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoic acid methyl ester Formula: C29H39NO5 MolecularWeight: 481.62366

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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(=O)C)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(=O)C)OC

InChI

InChI=1S/C29H39NO5/c1-8-9-10-11-21(23-14-12-20(19(2)31)17-26(23)34-6)18-27(32)30-25-16-22(28(33)35-7)13-15-24(25)29(3,4)5/h12-17,21H,8-11,18H2,1-7H3,(H,30,32)