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

Systemtic Name: ethyl (E)-3-(1-hexylindol-5-yl)but-2-enoate Openeye Name: ethyl (E)-3-(1-hexylindol-5-yl)but-2-enoate CAS Name: (E)-3-(1-hexyl-5-indolyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-hexylindol-5-yl)but-2-enoate Traditional Name: (E)-3-(1-hexylindol-5-yl)but-2-enoic acid ethyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)OCC)C

Isomeric SMILES

CCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C20H27NO2/c1-4-6-7-8-12-21-13-11-18-15-17(9-10-19(18)21)16(3)14-20(22)23-5-2/h9-11,13-15H,4-8,12H2,1-3H3/b16-14+