(phenylmethyl) 4-[[[2-(dimethylaminomethyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[2-(dimethylaminomethyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[[2-(dimethylaminomethyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(dimethylaminomethyl)-4-pyridinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[2-(dimethylaminomethyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(dimethylaminomethyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-25(2)16-21-14-20(8-11-23-21)24-15-18-9-12-26(13-10-18)22(27)28-17-19-6-4-3-5-7-19/h3-8,11,14,18H,9-10,12-13,15-17H2,1-2H3,(H,23,24)