(phenylmethyl) 2-(4-butylpiperazin-1-yl)pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-butylpiperazin-1-yl)pyridine-3-carboxylate Openeye Name: benzyl 2-(4-butylpiperazin-1-yl)pyridine-3-carboxylate CAS Name: 2-(4-butyl-1-piperazinyl)-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-butylpiperazin-1-yl)pyridine-3-carboxylate Traditional Name: 2-(4-butylpiperazino)nicotinic acid benzyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=CC=N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=CC=N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-2-3-12-23-13-15-24(16-14-23)20-19(10-7-11-22-20)21(25)26-17-18-8-5-4-6-9-18/h4-11H,2-3,12-17H2,1H3