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

Systemtic Name: ethyl (E)-3-(1-heptan-3-ylindol-5-yl)but-2-enoate Openeye Name: ethyl (E)-3-[1-(1-ethylpentyl)indol-5-yl]but-2-enoate CAS Name: (E)-3-(1-heptan-3-yl-5-indolyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-heptan-3-ylindol-5-yl)but-2-enoate Traditional Name: (E)-3-[1-(1-ethylpentyl)indol-5-yl]but-2-enoic acid ethyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)OCC)C

Isomeric SMILES

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

InChI

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