ethyl (E)-3-[1-(2-methylhexan-3-yl)indol-5-yl]but-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-6-8-19(15(3)4)22-12-11-18-14-17(9-10-20(18)22)16(5)13-21(23)24-7-2/h9-15,19H,6-8H2,1-5H3/b16-13+