ethyl 1-[(4-chlorophenyl)methyl]-4-methanoyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-4-methanoyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-4-formyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-4-formyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-4-formyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-chlorobenzyl)-4-formyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H18ClNO3/c1-4-22-17(21)16-12(3)19(11(2)15(16)10-20)9-13-5-7-14(18)8-6-13/h5-8,10H,4,9H2,1-3H3