methyl 2-[(3-cyanophenyl)methyl]-3,4-dimethyl-hexanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3,4-dimethyl-hexanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3,4-dimethyl-hexanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3,4-dimethylhexanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3,4-dimethylhexanoate Traditional Name: 2-(3-cyanobenzyl)-3,4-dimethyl-hexanoic acid methyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(CC1=CC=CC(=C1)C#N)C(=O)OC

Isomeric SMILES

CCC(C)C(C)C(CC1=CC=CC(=C1)C#N)C(=O)OC

InChI

InChI=1S/C17H23NO2/c1-5-12(2)13(3)16(17(19)20-4)10-14-7-6-8-15(9-14)11-18/h6-9,12-13,16H,5,10H2,1-4H3