2-(methylamino)ethyl 2-[5-cyano-5-(3,4-dimethoxyphenyl)heptan-2-yl]-4,5-dimethoxy-benzoate

Systemtic Name: 2-(methylamino)ethyl 2-[5-cyano-5-(3,4-dimethoxyphenyl)heptan-2-yl]-4,5-dimethoxy-benzoate Openeye Name: 2-(methylamino)ethyl 2-[4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-hexyl]-4,5-dimethoxy-benzoate CAS Name: 2-[5-cyano-5-(3,4-dimethoxyphenyl)heptan-2-yl]-4,5-dimethoxybenzoic acid 2-(methylamino)ethyl ester IUPAC Name: 2-(methylamino)ethyl 2-[5-cyano-5-(3,4-dimethoxyphenyl)heptan-2-yl]-4,5-dimethoxybenzoate Traditional Name: 2-[4-cyano-4-(3,4-dimethoxyphenyl)-1-methyl-hexyl]-4,5-dimethoxy-benzoic acid 2-(methylamino)ethyl ester Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1=CC(=C(C=C1C(=O)OCCNC)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(CCC(C)C1=CC(=C(C=C1C(=O)OCCNC)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H38N2O6/c1-8-28(18-29,20-9-10-23(32-4)24(15-20)33-5)12-11-19(2)21-16-25(34-6)26(35-7)17-22(21)27(31)36-14-13-30-3/h9-10,15-17,19,30H,8,11-14H2,1-7H3