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

Systemtic Name: (phenylmethyl) 4-(4-ethoxy-4-oxidanylidene-butyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(4-ethoxy-4-oxo-butyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-ethoxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethoxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-ethoxy-4-keto-butyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H25NO4/c1-4-24-18(22)12-8-11-17-14(2)19(21-15(17)3)20(23)25-13-16-9-6-5-7-10-16/h5-7,9-10,21H,4,8,11-13H2,1-3H3