ethyl (E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoate

Systemtic Name: ethyl (E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoate Openeye Name: ethyl (E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoate CAS Name: (E)-3-(1-heptan-4-yl-5-indolyl)-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-heptan-4-ylindol-5-yl)hex-2-enoate Traditional Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]hex-2-enoic acid ethyl ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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