ethyl (E)-3-(1-hexan-3-ylindol-5-yl)but-2-enoate

Systemtic Name: ethyl (E)-3-(1-hexan-3-ylindol-5-yl)but-2-enoate Openeye Name: ethyl (E)-3-[1-(1-ethylbutyl)indol-5-yl]but-2-enoate CAS Name: (E)-3-(1-hexan-3-yl-5-indolyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-hexan-3-ylindol-5-yl)but-2-enoate Traditional Name: (E)-3-[1-(1-ethylbutyl)indol-5-yl]but-2-enoic acid ethyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)OCC)C

Isomeric SMILES

CCCC(CC)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C20H27NO2/c1-5-8-18(6-2)21-12-11-17-14-16(9-10-19(17)21)15(4)13-20(22)23-7-3/h9-14,18H,5-8H2,1-4H3/b15-13+