(E)-3-[2-methyl-1-(4-phenylmethoxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-methyl-1-(4-phenylmethoxyphenyl)carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-benzyloxybenzoyl)-2-methyl-indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[oxo-(4-phenylmethoxyphenyl)methyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-(4-phenylmethoxybenzoyl)indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-benzoxybenzoyl)-2-methyl-indol-4-yl]acrylic acid Formula: C26H21NO4 MolecularWeight: 411.44924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C26H21NO4/c1-18-16-23-20(12-15-25(28)29)8-5-9-24(23)27(18)26(30)21-10-13-22(14-11-21)31-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,28,29)/b15-12+