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

Systemtic Name: 11-(4-oxidanyl-4-phenyl-piperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(4-hydroxy-4-phenyl-1-piperidyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(4-hydroxy-4-phenyl-1-piperidinyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(4-hydroxy-4-phenylpiperidin-1-yl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(4-hydroxy-4-phenyl-piperidino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C26H25NO4 MolecularWeight: 415.481

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4/c28-25(29)18-10-11-23-22(16-18)24(21-9-5-4-6-19(21)17-31-23)27-14-12-26(30,13-15-27)20-7-2-1-3-8-20/h1-11,16,24,30H,12-15,17H2,(H,28,29)