[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H27N3O3/c1-16(2)9-10-28-17(3)11-19(18(28)4)12-20(13-26)25(30)31-15-24(29)22-14-27-23-8-6-5-7-21(22)23/h5-8,11-12,14,16,27H,9-10,15H2,1-4H3