(2S)-2-[(2R)-8-(4-chloranyl-2-pyrrol-1-yl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-8-(4-chloranyl-2-pyrrol-1-yl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-8-(4-chloro-2-pyrrol-1-yl-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-8-[4-chloro-2-(1-pyrrolyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-8-(4-chloro-2-pyrrol-1-ylphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-8-(4-chloro-2-pyrrol-1-yl-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid Formula: C22H28ClNO6 MolecularWeight: 437.91382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

C1=CN(C=C1)C2=C(C=CC(=C2)Cl)CCCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C22H28ClNO6/c23-17-10-9-16(19(13-17)24-11-5-6-12-24)7-3-1-2-4-8-18(25)14-22(30,21(28)29)15-20(26)27/h5-6,9-13,18,25,30H,1-4,7-8,14-15H2,(H,26,27)(H,28,29)/t18-,22+/m1/s1