3-[[4-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[[4-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1-ol CAS Name: 3-[[4-[(2R)-3-(1-azocanyl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]-2,2-dimethyl-1-propanol IUPAC Name: 3-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]-2,2-dimethylpropan-1-ol Traditional Name: 3-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]amino]-2,2-dimethyl-propan-1-ol Formula: C23H40N2O4 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=CC(=C(C=C1)OCC(CN2CCCCCCC2)O)OC)CO

Isomeric SMILES

CC(C)(CNCC1=CC(=C(C=C1)OC[C@@H](CN2CCCCCCC2)O)OC)CO

InChI

InChI=1S/C23H40N2O4/c1-23(2,18-26)17-24-14-19-9-10-21(22(13-19)28-3)29-16-20(27)15-25-11-7-5-4-6-8-12-25/h9-10,13,20,24,26-27H,4-8,11-12,14-18H2,1-3H3/t20-/m1/s1