ethyl (E)-3-[1-[2-(4-bromanylphenoxy)ethyl]-2-methyl-indol-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-[2-(4-bromanylphenoxy)ethyl]-2-methyl-indol-3-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[1-[2-(4-bromophenoxy)ethyl]-2-methyl-indol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[2-(4-bromophenoxy)ethyl]-2-methyl-3-indolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-[2-(4-bromophenoxy)ethyl]-2-methylindol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-[2-(4-bromophenoxy)ethyl]-2-methyl-indol-3-yl]-2-cyano-acrylic acid ethyl ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)C)/C#N

InChI

InChI=1S/C23H21BrN2O3/c1-3-28-23(27)17(15-25)14-21-16(2)26(22-7-5-4-6-20(21)22)12-13-29-19-10-8-18(24)9-11-19/h4-11,14H,3,12-13H2,1-2H3/b17-14+