5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCC1COC2=CC=CC=C2O1)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCNCC1COC2=CC=CC=C2O1)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-18(2)25(17-26,19-10-11-21(28-3)24(14-19)29-4)12-7-13-27-15-20-16-30-22-8-5-6-9-23(22)31-20/h5-6,8-11,14,18,20,27H,7,12-13,15-16H2,1-4H3