2-methylpropyl 3-(piperazin-1-ylmethyl)benzoate

Systemtic Name: 2-methylpropyl 3-(piperazin-1-ylmethyl)benzoate Openeye Name: isobutyl 3-(piperazin-1-ylmethyl)benzoate CAS Name: 3-(1-piperazinylmethyl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(piperazin-1-ylmethyl)benzoate Traditional Name: 3-(piperazinomethyl)benzoic acid isobutyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CC=C1)CN2CCNCC2

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CC=C1)CN2CCNCC2

InChI

InChI=1S/C16H24N2O2/c1-13(2)12-20-16(19)15-5-3-4-14(10-15)11-18-8-6-17-7-9-18/h3-5,10,13,17H,6-9,11-12H2,1-2H3