4-[[[4-[(2S)-2-oxidanyl-3-piperidin-1-yl-propoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol

Systemtic Name: 4-[[[4-[(2S)-2-oxidanyl-3-piperidin-1-yl-propoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol Openeye Name: 4-[[[4-[(2S)-2-hydroxy-3-(1-piperidyl)propoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol CAS Name: 4-[[[4-[(2S)-2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]methylamino]methyl]-4-hepta-1,6-dienol IUPAC Name: 4-[[[4-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol Traditional Name: 4-[[[4-[(2S)-2-hydroxy-3-piperidino-propoxy]benzyl]amino]methyl]hepta-1,6-dien-4-ol Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CNCC1=CC=C(C=C1)OCC(CN2CCCCC2)O)O

Isomeric SMILES

C=CCC(CC=C)(CNCC1=CC=C(C=C1)OC[C@H](CN2CCCCC2)O)O

InChI

InChI=1S/C23H36N2O3/c1-3-12-23(27,13-4-2)19-24-16-20-8-10-22(11-9-20)28-18-21(26)17-25-14-6-5-7-15-25/h3-4,8-11,21,24,26-27H,1-2,5-7,12-19H2/t21-/m0/s1