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

Systemtic Name: ethyl (E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoate Openeye Name: ethyl (E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoate CAS Name: (E)-3-(1-heptan-4-yl-5-indolyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoate Traditional Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoic acid ethyl ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2/c1-5-9-20(10-6-2)23-14-13-19-15-18(11-12-21(19)23)17(7-3)16-22(24)25-8-4/h11-16,20H,5-10H2,1-4H3/b17-16+