(E)-2-cyano-3-[2-methyl-1-(4-methylpentyl)indol-3-yl]-N-octyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-methyl-1-(4-methylpentyl)indol-3-yl]-N-octyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-isohexyl-2-methyl-indol-3-yl)-N-octyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2-methyl-1-(4-methylpentyl)-3-indolyl]-N-octyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-methyl-1-(4-methylpentyl)indol-3-yl]-N-octylprop-2-enamide Traditional Name: (E)-2-cyano-3-(1-isohexyl-2-methyl-indol-3-yl)-N-octyl-acrylamide Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=C(N(C2=CC=CC=C21)CCCC(C)C)C)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=C(N(C2=CC=CC=C21)CCCC(C)C)C)/C#N

InChI

InChI=1S/C27H39N3O/c1-5-6-7-8-9-12-17-29-27(31)23(20-28)19-25-22(4)30(18-13-14-21(2)3)26-16-11-10-15-24(25)26/h10-11,15-16,19,21H,5-9,12-14,17-18H2,1-4H3,(H,29,31)/b23-19+