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

Systemtic Name: methyl (E)-6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hex-2-enoate Openeye Name: methyl (E)-6-[3-methyl-2-(3-pyridyl)indol-1-yl]hex-2-enoate CAS Name: (E)-6-[3-methyl-2-(3-pyridinyl)-1-indolyl]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(3-methyl-2-pyridin-3-ylindol-1-yl)hex-2-enoate Traditional Name: (E)-6-[3-methyl-2-(3-pyridyl)indol-1-yl]hex-2-enoic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-16-18-10-5-6-11-19(18)23(14-7-3-4-12-20(24)25-2)21(16)17-9-8-13-22-15-17/h4-6,8-13,15H,3,7,14H2,1-2H3/b12-4+