ethyl (E)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoate

Systemtic Name: ethyl (E)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoate Openeye Name: ethyl (E)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]pent-2-enoate CAS Name: (E)-3-[1-(2,6-dimethylheptan-4-yl)-5-indolyl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoate Traditional Name: (E)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]pent-2-enoic acid ethyl ester Formula: C24H35NO2 MolecularWeight: 369.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)OCC)C1=CC2=C(C=C1)N(C=C2)C(CC(C)C)CC(C)C

Isomeric SMILES

CC/C(=C\C(=O)OCC)/C1=CC2=C(C=C1)N(C=C2)C(CC(C)C)CC(C)C

InChI

InChI=1S/C24H35NO2/c1-7-19(16-24(26)27-8-2)20-9-10-23-21(15-20)11-12-25(23)22(13-17(3)4)14-18(5)6/h9-12,15-18,22H,7-8,13-14H2,1-6H3/b19-16+