4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[5-(1H-indol-2-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoic acid Formula: C26H21NO5 MolecularWeight: 427.44864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3N2)C=CC(=O)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC3=CC=CC=C3N2)/C=C/C(=O)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H21NO5/c1-31-24-15-25(32-2)20(22-14-18-5-3-4-6-21(18)27-22)13-19(24)11-12-23(28)16-7-9-17(10-8-16)26(29)30/h3-15,27H,1-2H3,(H,29,30)/b12-11+