[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-[(4-pyridin-2-yloxyphenoxy)methyl]piperidine-1-carboxylate

Systemtic Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-[(4-pyridin-2-yloxyphenoxy)methyl]piperidine-1-carboxylate Openeye Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-[[4-(2-pyridyloxy)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-pyridinyloxy)phenoxy]methyl]-1-piperidinecarboxylic acid [4-[(1H-imidazol-2-ylthio)methyl]phenyl] ester IUPAC Name: [4-(1H-imidazol-2-ylsulfanylmethyl)phenyl] 4-[(4-pyridin-2-yloxyphenoxy)methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-pyridyloxy)phenoxy]methyl]piperidine-1-carboxylic acid [4-[(1H-imidazol-2-ylthio)methyl]phenyl] ester Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=C(C=C2)OC3=CC=CC=N3)C(=O)OC4=CC=C(C=C4)CSC5=NC=CN5

Isomeric SMILES

C1CN(CCC1COC2=CC=C(C=C2)OC3=CC=CC=N3)C(=O)OC4=CC=C(C=C4)CSC5=NC=CN5

InChI

InChI=1S/C28H28N4O4S/c33-28(36-25-6-4-22(5-7-25)20-37-27-30-15-16-31-27)32-17-12-21(13-18-32)19-34-23-8-10-24(11-9-23)35-26-3-1-2-14-29-26/h1-11,14-16,21H,12-13,17-20H2,(H,30,31)