ethyl 5-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-acetyl]-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[(2S)-butan-2-yl]amino]-1,2-dioxoethyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[[(2S)-butan-2-yl]amino]-2-oxoacetyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[[(1S)-1-methylpropyl]amino]acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N2O4/c1-6-13(4)22-20(25)19(24)18-17(15-10-8-12(3)9-11-15)16(14(5)23-18)21(26)27-7-2/h8-11,13,23H,6-7H2,1-5H3,(H,22,25)/t13-/m0/s1