(phenylmethyl) 4-(1-acetyloxyethyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(1-acetyloxyethyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(1-acetoxyethyl)-3-(3-ethoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-acetyloxyethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-acetyloxyethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(1-acetoxyethyl)-3-(3-ethoxy-3-keto-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=C1C(C)OC(=O)C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=C1C(C)OC(=O)C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO6/c1-5-27-19(25)12-11-18-20(15(3)29-16(4)24)14(2)23-21(18)22(26)28-13-17-9-7-6-8-10-17/h6-10,15,23H,5,11-13H2,1-4H3