(E)-3-[4,6-bis(chloranyl)-2-ethoxycarbonyl-1-phenethyl-indol-3-yl]-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4,6-bis(chloranyl)-2-ethoxycarbonyl-1-phenethyl-indol-3-yl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(4,6-dichloro-2-ethoxycarbonyl-1-phenethyl-indol-3-yl)-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-(4,6-dichloro-2-ethoxycarbonyl-1-phenethyl-3-indolyl)-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(4,6-dichloro-2-ethoxycarbonyl-1-phenethylindol-3-yl)-2-phenylprop-2-enoic acid Traditional Name: (E)-3-(2-carbethoxy-4,6-dichloro-1-phenethyl-indol-3-yl)-2-phenyl-acrylic acid Formula: C28H23Cl2NO4 MolecularWeight: 508.39252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1CCC3=CC=CC=C3)Cl)Cl)C=C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1CCC3=CC=CC=C3)Cl)Cl)/C=C(\C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C28H23Cl2NO4/c1-2-35-28(34)26-22(17-21(27(32)33)19-11-7-4-8-12-19)25-23(30)15-20(29)16-24(25)31(26)14-13-18-9-5-3-6-10-18/h3-12,15-17H,2,13-14H2,1H3,(H,32,33)/b21-17+