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

Systemtic Name: (E)-3-[2-methyl-1-[4-(2-pyridin-2-ylethoxy)phenyl]carbonyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-methyl-1-[4-[2-(2-pyridyl)ethoxy]benzoyl]indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-methyl-1-[oxo-[4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-methyl-1-[4-(2-pyridin-2-ylethoxy)benzoyl]indol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-methyl-1-[4-[2-(2-pyridyl)ethoxy]benzoyl]indol-4-yl]acrylic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=N4)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=N4)/C=C/C(=O)O

InChI

InChI=1S/C26H22N2O4/c1-18-17-23-19(10-13-25(29)30)5-4-7-24(23)28(18)26(31)20-8-11-22(12-9-20)32-16-14-21-6-2-3-15-27-21/h2-13,15,17H,14,16H2,1H3,(H,29,30)/b13-10+