(phenylmethyl) 5-methanoyl-4-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-methanoyl-4-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-formyl-4-(2-methoxy-1-methyl-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-4-(1-methoxy-1-oxopropan-2-yl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-4-(1-methoxy-1-oxopropan-2-yl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-4-(2-keto-2-methoxy-1-methyl-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2)C=O)C(=O)OC

Isomeric SMILES

CC(C1=C(NC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2)C=O)C(=O)OC

InChI

InChI=1S/C21H23NO7/c1-13(20(25)28-3)18-15(9-10-17(24)27-2)19(22-16(18)11-23)21(26)29-12-14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3