4-cyano-3,3-dimethyl-4-phenyl-heptanoic acid

Systemtic Name: 4-cyano-3,3-dimethyl-4-phenyl-heptanoic acid Openeye Name: 4-cyano-3,3-dimethyl-4-phenyl-heptanoic acid CAS Name: 4-cyano-3,3-dimethyl-4-phenylheptanoic acid IUPAC Name: 4-cyano-3,3-dimethyl-4-phenylheptanoic acid Traditional Name: 4-cyano-3,3-dimethyl-4-phenyl-enanthic acid Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CC=CC=C1)C(C)(C)CC(=O)O

Isomeric SMILES

CCCC(C#N)(C1=CC=CC=C1)C(C)(C)CC(=O)O

InChI

InChI=1S/C16H21NO2/c1-4-10-16(12-17,13-8-6-5-7-9-13)15(2,3)11-14(18)19/h5-9H,4,10-11H2,1-3H3,(H,18,19)