[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: 3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H27BrN4O4 MolecularWeight: 527.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C25H27BrN4O4/c1-16-12-18(17(2)30(16)22-10-8-20(26)9-11-22)13-19(14-27)24(32)34-15-23(31)29-25(33)28-21-6-4-3-5-7-21/h8-13,21H,3-7,15H2,1-2H3,(H2,28,29,31,33)