[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35N3O3/c1-16(2)14-29-17(3)5-22(18(29)4)9-23(13-27)25(31)32-15-24(30)28-26-10-19-6-20(11-26)8-21(7-19)12-26/h5,9,16,19-21H,6-8,10-12,14-15H2,1-4H3,(H,28,30)