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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-methylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-methyl-butyric acid methyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-10(2)13(14(16)17-3)8-11-5-4-6-12(7-11)9-15/h4-7,10,13H,8H2,1-3H3