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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-pentanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-pentanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-methylpentanoate Traditional Name: 2-(3-cyanobenzyl)-3-methyl-valeric acid methyl ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2/c1-4-11(2)14(15(17)18-3)9-12-6-5-7-13(8-12)10-16/h5-8,11,14H,4,9H2,1-3H3