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

Systemtic Name: (2S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)-4-oxobutanoic acid Traditional Name: (2S)-2-(4-carbethoxy-5-methyl-1H-pyrrol-2-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(=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)[C@H](CC(=O)C2=CC=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C18H18ClNO5/c1-3-25-18(24)13-8-15(20-10(13)2)14(17(22)23)9-16(21)11-4-6-12(19)7-5-11/h4-8,14,20H,3,9H2,1-2H3,(H,22,23)/t14-/m0/s1