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

Systemtic Name: ethyl (E)-3-(1-heptylindol-5-yl)but-2-enoate Openeye Name: ethyl (E)-3-(1-heptylindol-5-yl)but-2-enoate CAS Name: (E)-3-(1-heptyl-5-indolyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-heptylindol-5-yl)but-2-enoate Traditional Name: (E)-3-(1-heptylindol-5-yl)but-2-enoic acid ethyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)OCC)C

Isomeric SMILES

CCCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C21H29NO2/c1-4-6-7-8-9-13-22-14-12-19-16-18(10-11-20(19)22)17(3)15-21(23)24-5-2/h10-12,14-16H,4-9,13H2,1-3H3/b17-15+