1-[2,6-bis[2-oxidanyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2,6-bis[2-oxidanyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[2,6-bis[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[2,6-bis[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone IUPAC Name: 1-[2,6-bis[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[2,6-bis[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone Formula: C36H42N2O5 MolecularWeight: 582.72908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1OCC(CN2CCC(=CC2)C3=CC=CC=C3)O)OCC(CN4CCC(=CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC(=O)C1=C(C=CC=C1OCC(CN2CCC(=CC2)C3=CC=CC=C3)O)OCC(CN4CCC(=CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C36H42N2O5/c1-27(39)36-34(42-25-32(40)23-37-19-15-30(16-20-37)28-9-4-2-5-10-28)13-8-14-35(36)43-26-33(41)24-38-21-17-31(18-22-38)29-11-6-3-7-12-29/h2-15,17,32-33,40-41H,16,18-26H2,1H3