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

Systemtic Name: methyl 11-(4-oxidanyl-4-phenyl-piperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(4-hydroxy-4-phenyl-1-piperidyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(4-hydroxy-4-phenyl-1-piperidinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(4-hydroxy-4-phenylpiperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(4-hydroxy-4-phenyl-piperidino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2N4CCC(CC4)(C5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2N4CCC(CC4)(C5=CC=CC=C5)O

InChI

InChI=1S/C27H27NO4/c1-31-26(29)19-11-12-24-23(17-19)25(22-10-6-5-7-20(22)18-32-24)28-15-13-27(30,14-16-28)21-8-3-2-4-9-21/h2-12,17,25,30H,13-16,18H2,1H3