5-heptoxy-2-[(2R)-3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 5-heptoxy-2-[(2R)-3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 5-heptoxy-2-[(2R)-2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile CAS Name: 5-heptoxy-2-[(2R)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 5-heptoxy-2-[(2R)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile Traditional Name: 5-heptoxy-2-[(2R)-2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OC)O)C#N

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)OC[C@@H](CNC(C)(C)CC2=CC=C(C=C2)OC)O)C#N

InChI

InChI=1S/C28H40N2O4/c1-5-6-7-8-9-16-33-26-14-15-27(23(17-26)19-29)34-21-24(31)20-30-28(2,3)18-22-10-12-25(32-4)13-11-22/h10-15,17,24,30-31H,5-9,16,18,20-21H2,1-4H3/t24-/m1/s1