tert-butyl 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methylpiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36IN3O2 MolecularWeight: 513.45531

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)C2=CC=C(C=C2)I)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)I)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36IN3O2/c1-17-16-26(14-15-27(17)18(2)19-6-8-20(24)9-7-19)21-10-12-25(13-11-21)22(28)29-23(3,4)5/h6-9,17-18,21H,10-16H2,1-5H3/t17-,18-/m0/s1