5-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxo-ethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 5-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorobenzyl)-2-(2-ethoxy-2-keto-ethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)CC2=CC=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)CC2=CC=C(C=C2)Cl)C)C(=O)O

InChI

InChI=1S/C18H20ClNO4/c1-4-24-16(21)10-15-17(18(22)23)11(2)14(20(15)3)9-12-5-7-13(19)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,22,23)