(phenylmethyl) 4-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-ethoxy-2-oxo-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO4/c1-4-22-16(20)10-15-12(2)17(19-13(15)3)18(21)23-11-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3