ethyl 3-[3-[[2-tert-butyl-3-(2,4-dimethoxyphenyl)octanoyl]amino]phenyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=C(C=C1)OC)OC)C(C(=O)NC2=CC=CC(=C2)CCC(=O)OCC)C(C)(C)C

Isomeric SMILES

CCCCCC(C1=C(C=C(C=C1)OC)OC)C(C(=O)NC2=CC=CC(=C2)CCC(=O)OCC)C(C)(C)C

InChI

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