tert-butyl 2-[4-(phenylmethyl)-4-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(phenylmethyl)-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-(4-benzyl-4-piperazin-1-yl-1-piperidyl)acetate CAS Name: 2-[4-(phenylmethyl)-4-(1-piperazinyl)-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzyl-4-piperazin-1-ylpiperidin-1-yl)acetate Traditional Name: 2-(4-benzyl-4-piperazino-piperidino)acetic acid tert-butyl ester Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(CC1)(CC2=CC=CC=C2)N3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)(CC2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C22H35N3O2/c1-21(2,3)27-20(26)18-24-13-9-22(10-14-24,25-15-11-23-12-16-25)17-19-7-5-4-6-8-19/h4-8,23H,9-18H2,1-3H3