ethyl (E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoate

Systemtic Name: ethyl (E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoate Openeye Name: ethyl (E)-3-[1-(1-pentylhexyl)indol-5-yl]but-2-enoate CAS Name: (E)-3-(1-undecan-6-yl-5-indolyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoate Traditional Name: (E)-3-[1-(1-amylhexyl)indol-5-yl]but-2-enoic acid ethyl ester Formula: C25H37NO2 MolecularWeight: 383.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO2/c1-5-8-10-12-23(13-11-9-6-2)26-17-16-22-19-21(14-15-24(22)26)20(4)18-25(27)28-7-3/h14-19,23H,5-13H2,1-4H3/b20-18+