4-[[2-chloranyl-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methyl-pyrrol-1-yl]methyl]pyridin-3-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-chloranyl-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methyl-pyrrol-1-yl]methyl]pyridin-3-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-chloro-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methyl-pyrrol-1-yl]methyl]-3-pyridyl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[2-chloro-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methyl-1-pyrrolyl]methyl]-3-pyridinyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[2-chloro-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methylpyrrol-1-yl]methyl]pyridin-3-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[2-chloro-5-[[3-cyano-4-(4-cyanophenyl)-2-ethyl-5-methyl-pyrrol-1-yl]methyl]-3-pyridyl]methoxy]-4-keto-butyric acid Formula: C26H23ClN4O4 MolecularWeight: 490.93822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)COC(=O)CCC(=O)O)C)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC(=C(N=C2)Cl)COC(=O)CCC(=O)O)C)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C26H23ClN4O4/c1-3-22-21(12-29)25(19-6-4-17(11-28)5-7-19)16(2)31(22)14-18-10-20(26(27)30-13-18)15-35-24(34)9-8-23(32)33/h4-7,10,13H,3,8-9,14-15H2,1-2H3,(H,32,33)