dimethyl 2-[8-[4-chloranyl-2-(3,4-dimethylpyrrol-1-yl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioate

Systemtic Name: dimethyl 2-[8-[4-chloranyl-2-(3,4-dimethylpyrrol-1-yl)phenyl]-2-oxidanyl-octyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl 2-[8-[4-chloro-2-(3,4-dimethylpyrrol-1-yl)phenyl]-2-hydroxy-octyl]-2-hydroxy-butanedioate CAS Name: 2-[8-[4-chloro-2-(3,4-dimethyl-1-pyrrolyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[8-[4-chloro-2-(3,4-dimethylpyrrol-1-yl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioate Traditional Name: 2-[8-[4-chloro-2-(3,4-dimethylpyrrol-1-yl)phenyl]-2-hydroxy-octyl]-2-hydroxy-succinic acid dimethyl ester Formula: C26H36ClNO6 MolecularWeight: 494.02014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=C1C)C2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)OC)(C(=O)OC)O)O

Isomeric SMILES

CC1=CN(C=C1C)C2=C(C=CC(=C2)Cl)CCCCCCC(CC(CC(=O)OC)(C(=O)OC)O)O

InChI

InChI=1S/C26H36ClNO6/c1-18-16-28(17-19(18)2)23-13-21(27)12-11-20(23)9-7-5-6-8-10-22(29)14-26(32,25(31)34-4)15-24(30)33-3/h11-13,16-17,22,29,32H,5-10,14-15H2,1-4H3