ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoate

Systemtic Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoate Openeye Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-heptanoate CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylheptanoate Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-enanthic acid ethyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3/c1-6-11-19(14-20,15-9-8-10-16(12-15)22-5)18(3,4)13-17(21)23-7-2/h8-10,12H,6-7,11,13H2,1-5H3