(phenylmethyl) 3,4-bis(3-methoxy-3-oxidanylidene-propyl)pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 3,4-bis(3-methoxy-3-oxidanylidene-propyl)pyrrole-1-carboxylate Openeye Name: benzyl 3,4-bis(3-methoxy-3-oxo-propyl)pyrrole-1-carboxylate CAS Name: 3,4-bis(3-methoxy-3-oxopropyl)-1-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-bis(3-methoxy-3-oxopropyl)pyrrole-1-carboxylate Traditional Name: 3,4-bis(3-keto-3-methoxy-propyl)pyrrole-1-carboxylic acid benzyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=CN(C=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO6/c1-25-18(22)10-8-16-12-21(13-17(16)9-11-19(23)26-2)20(24)27-14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3