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

Systemtic Name: (phenylmethyl) 4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-ethoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CNC(=C1C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=CNC(=C1C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-3-22-16(20)10-9-15-11-19-17(13(15)2)18(21)23-12-14-7-5-4-6-8-14/h4-8,11,19H,3,9-10,12H2,1-2H3