(phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-(propanoyloxymethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-(propanoyloxymethyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-methoxy-3-oxo-propyl)-3-methyl-5-(propanoyloxymethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(1-oxopropoxymethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(propanoyloxymethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-keto-3-methoxy-propyl)-3-methyl-5-(propionyloxymethyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)CCC(=O)OC

Isomeric SMILES

CCC(=O)OCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)CCC(=O)OC

InChI

InChI=1S/C21H25NO6/c1-4-18(23)27-13-17-16(10-11-19(24)26-3)14(2)20(22-17)21(25)28-12-15-8-6-5-7-9-15/h5-9,22H,4,10-13H2,1-3H3