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

Systemtic Name: methyl 4-tert-butyl-3-[3-[4-(1-hydroxyethyl)-2-methoxy-phenyl]octanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-[4-(1-hydroxyethyl)-2-methoxy-phenyl]octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-[4-(1-hydroxyethyl)-2-methoxyphenyl]-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-[4-(1-hydroxyethyl)-2-methoxyphenyl]octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-[4-(1-hydroxyethyl)-2-methoxy-phenyl]octanoylamino]benzoic acid methyl ester Formula: C29H41NO5 MolecularWeight: 483.63954

Click to see the large picture

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(C)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(C)O)OC

InChI

InChI=1S/C29H41NO5/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/h12-17,19,21,31H,8-11,18H2,1-7H3,(H,30,32)