(3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol

Systemtic Name: (3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Openeye Name: (3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol CAS Name: (3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-3-piperidinol IUPAC Name: (3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Traditional Name: (3S,4S,5R)-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CCOC2=C1C=C(C=C2)COC3CNCC(C3C4=CC=C(C=C4)OC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

COCCCN1CCOC2=C1C=C(C=C2)CO[C@H]3CNC[C@H]([C@@H]3C4=CC=C(C=C4)OC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C31H36N2O7/c1-35-13-2-11-33-12-14-36-27-9-3-21(15-25(27)33)19-37-30-18-32-17-26(34)31(30)22-4-6-23(7-5-22)40-24-8-10-28-29(16-24)39-20-38-28/h3-10,15-16,26,30-32,34H,2,11-14,17-20H2,1H3/t26-,30+,31+/m1/s1