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

Systemtic Name: methyl 2-[11-(4-oxidanyl-4-phenyl-piperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[11-(4-hydroxy-4-phenyl-1-piperidyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[11-(4-hydroxy-4-phenyl-1-piperidinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[11-(4-hydroxy-4-phenylpiperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[11-(4-hydroxy-4-phenyl-piperidino)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2N4CCC(CC4)(C5=CC=CC=C5)O

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2N4CCC(CC4)(C5=CC=CC=C5)O

InChI

InChI=1S/C28H29NO4/c1-32-26(30)18-20-11-12-25-24(17-20)27(23-10-6-5-7-21(23)19-33-25)29-15-13-28(31,14-16-29)22-8-3-2-4-9-22/h2-12,17,27,31H,13-16,18-19H2,1H3