methyl 2-[(3-cyanophenyl)methyl]-4-cyclohexyl-3-methyl-butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-4-cyclohexyl-3-methyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-4-cyclohexyl-3-methyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanoate Traditional Name: 2-(3-cyanobenzyl)-4-cyclohexyl-3-methyl-butyric acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCC1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC(CC1CCCCC1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C20H27NO2/c1-15(11-16-7-4-3-5-8-16)19(20(22)23-2)13-17-9-6-10-18(12-17)14-21/h6,9-10,12,15-16,19H,3-5,7-8,11,13H2,1-2H3