4-[(1S,2R)-2-[4-[[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]phenyl]methyl]piperidin-1-yl]-1-oxidanyl-propyl]phenol

Systemtic Name: 4-[(1S,2R)-2-[4-[[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]phenyl]methyl]piperidin-1-yl]-1-oxidanyl-propyl]phenol Openeye Name: 4-[(1S,2R)-2-[4-[[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]phenyl]methyl]-1-piperidyl]-1-hydroxy-propyl]phenol CAS Name: 4-[(1S,2R)-2-[4-[[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]phenyl]methyl]-1-piperidinyl]-1-hydroxypropyl]phenol IUPAC Name: 4-[(1S,2R)-2-[4-[[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]phenyl]methyl]piperidin-1-yl]-1-hydroxypropyl]phenol Traditional Name: 4-[(1S,2R)-2-[4-[4-[4-[(3,5-dimethyl-1-adamantyl)amino]butoxy]benzyl]piperidino]-1-hydroxy-propyl]phenol Formula: C37H54N2O3 MolecularWeight: 574.83626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=C(C=C3)OCCCCNC45CC6CC(C4)(CC(C6)(C5)C)C

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=C(C=C3)OCCCCNC45CC6CC(C4)(CC(C6)(C5)C)C

InChI

InChI=1S/C37H54N2O3/c1-27(34(41)31-8-10-32(40)11-9-31)39-17-14-29(15-18-39)20-28-6-12-33(13-7-28)42-19-5-4-16-38-37-23-30-21-35(2,25-37)24-36(3,22-30)26-37/h6-13,27,29-30,34,38,40-41H,4-5,14-26H2,1-3H3/t27-,30?,34-,35?,36?,37?/m1/s1