4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoic acid

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoic acid Openeye Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoic acid CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoic acid IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoic acid Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-enanthic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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