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

Systemtic Name: (phenylmethyl) 3-[3-(4-cyanophenyl)pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 3-[3-(4-cyanophenyl)pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-oxo-butanoate CAS Name: 3-[3-(4-cyanophenyl)-1-pyrrolyl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-(4-cyanophenyl)pyrrol-1-yl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoate Traditional Name: 3-[3-(4-cyanophenyl)pyrrol-1-yl]-4-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-keto-butyric acid benzyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C(C(=O)NC)NC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H32N4O4/c1-29(2,3)26(28(36)31-4)32-27(35)24(16-25(34)37-19-21-8-6-5-7-9-21)33-15-14-23(18-33)22-12-10-20(17-30)11-13-22/h5-15,18,24,26H,16,19H2,1-4H3,(H,31,36)(H,32,35)