methyl 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazin-1-yl]acetate CAS Name: 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(4-cyano-3-methylphenyl)hexyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazino]acetic acid methyl ester Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(=O)OC

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC(=O)OC

InChI

InChI=1S/C21H31N3O2/c1-4-5-6-7-20(18-8-9-19(15-22)17(2)14-18)24-12-10-23(11-13-24)16-21(25)26-3/h8-9,14,20H,4-7,10-13,16H2,1-3H3