tert-butyl 4-[1-[2-[4-(1-benzothiophen-2-yloxy)phenyl]ethyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[2-[4-(1-benzothiophen-2-yloxy)phenyl]ethyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[2-[4-(benzothiophen-2-yloxy)phenyl]ethyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[2-[4-(1-benzothiophen-2-yloxy)phenyl]ethyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[2-[4-(1-benzothiophen-2-yloxy)phenyl]ethyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[2-[4-(benzothiophen-2-yloxy)phenyl]ethyl]isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H39N3O4S MolecularWeight: 549.72406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CCC3=CC=C(C=C3)OC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CCC3=CC=C(C=C3)OC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H39N3O4S/c1-31(2,3)38-30(36)34-20-18-33(19-21-34)29(35)24-13-16-32(17-14-24)15-12-23-8-10-26(11-9-23)37-28-22-25-6-4-5-7-27(25)39-28/h4-11,22,24H,12-21H2,1-3H3