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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c1-19-16-23-25(29-14-12-28(31,13-15-29)21-9-4-3-5-10-21)22-11-7-6-8-20(22)18-33-26(23)24(17-19)27(30)32-2/h3-11,16-17,25,31H,12-15,18H2,1-2H3