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

Systemtic Name: (E)-2-methyl-3-[4-[(3-methyl-2-pyridin-3-yl-indol-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-2-methyl-3-[4-[[3-methyl-2-(3-pyridyl)indol-1-yl]methyl]phenyl]prop-2-enoic acid CAS Name: (E)-2-methyl-3-[4-[[3-methyl-2-(3-pyridinyl)-1-indolyl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-2-methyl-3-[4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-2-methyl-3-[4-[[3-methyl-2-(3-pyridyl)indol-1-yl]methyl]phenyl]acrylic acid Formula: C25H22N2O2 MolecularWeight: 382.45438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C=C(C)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)/C=C(\C)/C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N2O2/c1-17(25(28)29)14-19-9-11-20(12-10-19)16-27-23-8-4-3-7-22(23)18(2)24(27)21-6-5-13-26-15-21/h3-15H,16H2,1-2H3,(H,28,29)/b17-14+