tert-butyl 3-[[5-[2-(1,3-dithiolan-2-yl)propan-2-yl]-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-[2-(1,3-dithiolan-2-yl)propan-2-yl]-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-[1-(1,3-dithiolan-2-yl)-1-methyl-ethyl]-2-methoxy-phenyl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[5-[2-(1,3-dithiolan-2-yl)propan-2-yl]-2-methoxyphenyl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-[2-(1,3-dithiolan-2-yl)propan-2-yl]-2-methoxyphenyl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[5-[1-(1,3-dithiolan-2-yl)-1-methyl-ethyl]-2-methoxy-benzyl]amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C30H42N2O3S2 MolecularWeight: 542.79608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)C(C)(C)C4SCCS4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)C(C)(C)C4SCCS4)OC

InChI

InChI=1S/C30H42N2O3S2/c1-29(2,3)35-28(33)32-16-10-13-24(26(32)21-11-8-7-9-12-21)31-20-22-19-23(14-15-25(22)34-6)30(4,5)27-36-17-18-37-27/h7-9,11-12,14-15,19,24,26-27,31H,10,13,16-18,20H2,1-6H3