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

Systemtic Name: ethyl (E)-3-[1-(1-phenylhexyl)indol-5-yl]but-2-enoate Openeye Name: ethyl (E)-3-[1-(1-phenylhexyl)indol-5-yl]but-2-enoate CAS Name: (E)-3-[1-(1-phenylhexyl)-5-indolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(1-phenylhexyl)indol-5-yl]but-2-enoate Traditional Name: (E)-3-[1-(1-phenylhexyl)indol-5-yl]but-2-enoic acid ethyl ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)N2C=CC3=C2C=CC(=C3)C(=CC(=O)OCC)C

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)N2C=CC3=C2C=CC(=C3)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C26H31NO2/c1-4-6-8-13-24(21-11-9-7-10-12-21)27-17-16-23-19-22(14-15-25(23)27)20(3)18-26(28)29-5-2/h7,9-12,14-19,24H,4-6,8,13H2,1-3H3/b20-18+