(E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoic acid

Systemtic Name: (E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-pentylhexyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-undecan-6-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-amylhexyl)indol-5-yl]but-2-enoic acid Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO2/c1-4-6-8-10-21(11-9-7-5-2)24-15-14-20-17-19(12-13-22(20)24)18(3)16-23(25)26/h12-17,21H,4-11H2,1-3H3,(H,25,26)/b18-16+