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

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoic acid; N-methylmethanamine Openeye Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoic acid; N-methylmethanamine CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoic acid; N-methylmethanamine IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoic acid; N-methylmethanamine Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-enanthic acid; dimethylamine Formula: C19H30N2O3 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3.C2H7N/c1-5-9-17(12-18,16(2,3)11-15(19)20)13-7-6-8-14(10-13)21-4;1-3-2/h6-8,10H,5,9,11H2,1-4H3,(H,19,20);3H,1-2H3