ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate; N-methylmethanamine

Systemtic Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate; N-methylmethanamine Openeye Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate; N-methylmethanamine CAS Name: 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethylheptanoic acid ethyl ester; N-methylmethanamine IUPAC Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethylheptanoate; N-methylmethanamine Traditional Name: 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-enanthic acid ethyl ester; dimethylamine Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)(C)CC(=O)OCC.CNC

Isomeric SMILES

CCCC(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)(C)CC(=O)OCC.CNC

InChI

InChI=1S/C20H29NO4.C2H7N/c1-7-9-20(14-21,19(3,4)13-18(22)25-8-2)15-10-16(23-5)12-17(11-15)24-6;1-3-2/h10-12H,7-9,13H2,1-6H3;3H,1-2H3