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

Systemtic Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate Openeye Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoate Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoic acid ethyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c1-6-18(13-19,14-9-8-10-15(11-14)21-5)17(3,4)12-16(20)22-7-2/h8-11H,6-7,12H2,1-5H3