4-cyano-3-methyl-4-phenyl-hexanoic acid; N-methylmethanamine

Systemtic Name: 4-cyano-3-methyl-4-phenyl-hexanoic acid; N-methylmethanamine Openeye Name: 4-cyano-3-methyl-4-phenyl-hexanoic acid; N-methylmethanamine CAS Name: 4-cyano-3-methyl-4-phenylhexanoic acid; N-methylmethanamine IUPAC Name: 4-cyano-3-methyl-4-phenylhexanoic acid; N-methylmethanamine Traditional Name: 4-cyano-3-methyl-4-phenyl-hexanoic acid; dimethylamine Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2.C2H7N/c1-3-14(10-15,11(2)9-13(16)17)12-7-5-4-6-8-12;1-3-2/h4-8,11H,3,9H2,1-2H3,(H,16,17);3H,1-2H3