4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid; N-methylmethanamine

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid; N-methylmethanamine Openeye Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid; N-methylmethanamine CAS Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethylhexanoic acid; N-methylmethanamine IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethylhexanoic acid; N-methylmethanamine Traditional Name: 4-cyano-4-(3-methoxyphenyl)-2,3-dimethyl-hexanoic acid; dimethylamine Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3.C2H7N/c1-5-16(10-17,12(3)11(2)15(18)19)13-7-6-8-14(9-13)20-4;1-3-2/h6-9,11-12H,5H2,1-4H3,(H,18,19);3H,1-2H3