(E)-6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hex-2-enoic acid

Systemtic Name: (E)-6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hex-2-enoic acid Openeye Name: (E)-6-[3-methyl-2-(3-pyridyl)indol-1-yl]hex-2-enoic acid CAS Name: (E)-6-[3-methyl-2-(3-pyridinyl)-1-indolyl]-2-hexenoic acid IUPAC Name: (E)-6-(3-methyl-2-pyridin-3-ylindol-1-yl)hex-2-enoic acid Traditional Name: (E)-6-[3-methyl-2-(3-pyridyl)indol-1-yl]hex-2-enoic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCC/C=C/C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-15-17-9-4-5-10-18(17)22(13-6-2-3-11-19(23)24)20(15)16-8-7-12-21-14-16/h3-5,7-12,14H,2,6,13H2,1H3,(H,23,24)/b11-3+