6-azanyl-2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile

Systemtic Name: 6-azanyl-2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile Openeye Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-sec-butyl-heptanenitrile CAS Name: 6-amino-2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile IUPAC Name: 6-amino-2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile Traditional Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-2-sec-butyl-enanthonitrile Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-5-19(2)27(18-28,20-12-13-23(30-3)26(15-20)31-4)14-8-9-21(29)16-22-17-32-24-10-6-7-11-25(24)33-22/h6-7,10-13,15,19,21-22H,5,8-9,14,16-17,29H2,1-4H3