ethyl 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoate Openeye Name: ethyl 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoate CAS Name: 3-[4-tert-butyl-3-[[3-(2,6-dimethoxyphenyl)-1-oxooctyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoate Traditional Name: 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propionic acid ethyl ester Formula: C31H45NO5 MolecularWeight: 511.6927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CCC(=O)OCC)C(C)(C)C)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CCC(=O)OCC)C(C)(C)C)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C31H45NO5/c1-8-10-11-13-23(30-26(35-6)14-12-15-27(30)36-7)21-28(33)32-25-20-22(17-19-29(34)37-9-2)16-18-24(25)31(3,4)5/h12,14-16,18,20,23H,8-11,13,17,19,21H2,1-7H3,(H,32,33)