4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-oxo-butanoic acid CAS Name: 4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-oxobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)-4-oxobutanoic acid Traditional Name: 2-(4-carbethoxy-5-methyl-1H-pyrrol-3-yl)-4-(4-chlorophenyl)-4-keto-butyric acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C18H18ClNO5/c1-3-25-18(24)16-10(2)20-9-14(16)13(17(22)23)8-15(21)11-4-6-12(19)7-5-11/h4-7,9,13,20H,3,8H2,1-2H3,(H,22,23)