(E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(4-octoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(4-octoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(4-octoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-(4-octoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(4-octoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(4-octoxyphenyl)acrylonitrile Formula: C27H30N2O2 MolecularWeight: 414.5393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C27H30N2O2/c1-3-4-5-6-7-10-17-31-23-15-13-21(14-16-23)18-22(19-28)27(30)26-20(2)29-25-12-9-8-11-24(25)26/h8-9,11-16,18,29H,3-7,10,17H2,1-2H3/b22-18+