methyl 11-[2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(4-hydroxy-4-phenyl-1-piperidinyl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(4-hydroxy-4-phenyl-piperidino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCC(CC4)(C5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCC(CC4)(C5=CC=CC=C5)O

InChI

InChI=1S/C29H31NO4S/c1-33-28(31)21-11-12-26-25(19-21)27(24-10-6-5-7-22(24)20-34-26)35-18-17-30-15-13-29(32,14-16-30)23-8-3-2-4-9-23/h2-12,19,27,32H,13-18,20H2,1H3