2-cyano-2-[3-methyl-1-(phenylmethyl)cyclopentyl]ethanoic acid

Systemtic Name: 2-cyano-2-[3-methyl-1-(phenylmethyl)cyclopentyl]ethanoic acid Openeye Name: 2-(1-benzyl-3-methyl-cyclopentyl)-2-cyano-acetic acid CAS Name: 2-cyano-2-[3-methyl-1-(phenylmethyl)cyclopentyl]acetic acid IUPAC Name: 2-(1-benzyl-3-methylcyclopentyl)-2-cyanoacetic acid Traditional Name: 2-(1-benzyl-3-methyl-cyclopentyl)-2-cyano-acetic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1)(CC2=CC=CC=C2)C(C#N)C(=O)O

Isomeric SMILES

CC1CCC(C1)(CC2=CC=CC=C2)C(C#N)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-12-7-8-16(9-12,14(11-17)15(18)19)10-13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3,(H,18,19)