prop-2-enyl 3-[3-[2-(4-cyanophenyl)ethanoyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: prop-2-enyl 3-[3-[2-(4-cyanophenyl)ethanoyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: allyl 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-oxo-butanoate CAS Name: 3-[3-[2-(4-cyanophenyl)-1-oxoethyl]-1-pyrrolyl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoate Traditional Name: 3-[3-[2-(4-cyanophenyl)acetyl]pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-keto-butyric acid allyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)OCC=C)N1C=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)OCC=C)N1C=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C27H32N4O5/c1-6-13-36-23(33)15-21(25(34)30-24(26(35)29-5)27(2,3)4)31-12-11-20(17-31)22(32)14-18-7-9-19(16-28)10-8-18/h6-12,17,21,24H,1,13-15H2,2-5H3,(H,29,35)(H,30,34)