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

Systemtic Name: (3S,4S,5R)-4-[4-[3-(dimethylamino)phenoxy]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Openeye Name: (3S,4S,5R)-4-[4-[3-(dimethylamino)phenoxy]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol CAS Name: (3S,4S,5R)-4-[4-[3-(dimethylamino)phenoxy]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-3-piperidinol IUPAC Name: (3S,4S,5R)-4-[4-[3-(dimethylamino)phenoxy]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Traditional Name: (3S,4S,5R)-4-[4-[3-(dimethylamino)phenoxy]phenyl]-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-3-ol Formula: C32H41N3O5 MolecularWeight: 547.68504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3C(CNCC3OCC4=CC5=C(C=C4)OCCN5CCCOC)O

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)[C@H]3[C@@H](CNC[C@@H]3OCC4=CC5=C(C=C4)OCCN5CCCOC)O

InChI

InChI=1S/C32H41N3O5/c1-34(2)25-6-4-7-27(19-25)40-26-11-9-24(10-12-26)32-29(36)20-33-21-31(32)39-22-23-8-13-30-28(18-23)35(15-17-38-30)14-5-16-37-3/h4,6-13,18-19,29,31-33,36H,5,14-17,20-22H2,1-3H3/t29-,31+,32+/m1/s1