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

Systemtic Name: ethyl 2-methyl-4-(4-methylphenyl)-5-[2-[[(2R)-1-oxidanylbutan-2-yl]amino]-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-2-oxo-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-1,2-dioxoethyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoacetyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[[(1R)-1-methylolpropyl]amino]acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-5-15(11-24)23-20(26)19(25)18-17(14-9-7-12(3)8-10-14)16(13(4)22-18)21(27)28-6-2/h7-10,15,22,24H,5-6,11H2,1-4H3,(H,23,26)/t15-/m1/s1