(phenylmethyl) 5-[(3,4-diethylpyrrol-1-yl)methyl]-4-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(3,4-diethylpyrrol-1-yl)methyl]-4-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[(3,4-diethylpyrrol-1-yl)methyl]-4-(2-methoxy-1-methyl-2-oxo-ethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3,4-diethyl-1-pyrrolyl)methyl]-4-(1-methoxy-1-oxopropan-2-yl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(3,4-diethylpyrrol-1-yl)methyl]-4-(1-methoxy-1-oxopropan-2-yl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3,4-diethylpyrrol-1-yl)methyl]-4-(2-keto-2-methoxy-1-methyl-ethyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)C(C)C(=O)OC

Isomeric SMILES

CCC1=CN(C=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)C(C)C(=O)OC

InChI

InChI=1S/C26H32N2O4/c1-6-20-13-28(14-21(20)7-2)15-22-23(18(4)25(29)31-5)17(3)24(27-22)26(30)32-16-19-11-9-8-10-12-19/h8-14,18,27H,6-7,15-16H2,1-5H3