6-azanyl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile

Systemtic Name: 6-azanyl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-pentan-3-yl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpropyl)-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCCC(CC1COC2=CC=CC=C2O1)N)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(CC)C(CCCC(CC1COC2=CC=CC=C2O1)N)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C29H40N2O5/c1-6-20(7-2)29(19-30,21-15-26(32-3)28(34-5)27(16-21)33-4)14-10-11-22(31)17-23-18-35-24-12-8-9-13-25(24)36-23/h8-9,12-13,15-16,20,22-23H,6-7,10-11,14,17-18,31H2,1-5H3