(E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid

Systemtic Name: (E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid Openeye Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoic acid CAS Name: (E)-3-(1-heptan-4-yl-5-indolyl)-2-hexenoic acid IUPAC Name: (E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid Traditional Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-4-7-16(15-21(23)24)17-10-11-20-18(14-17)12-13-22(20)19(8-5-2)9-6-3/h10-15,19H,4-9H2,1-3H3,(H,23,24)/b16-15+