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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)C3C4=CC=CC=C4COC5=C3C=C(C=C5)CC(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)C3C4=CC=CC=C4COC5=C3C=C(C=C5)CC(=O)O

InChI

InChI=1S/C27H27NO4/c29-25(30)17-19-10-11-24-23(16-19)26(22-9-5-4-6-20(22)18-32-24)28-14-12-27(31,13-15-28)21-7-2-1-3-8-21/h1-11,16,26,31H,12-15,17-18H2,(H,29,30)