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

Systemtic Name: dimethyl 2-[8-(4-chloranyl-2-pyrrol-1-yl-phenyl)-2-oxidanyl-octyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl 2-[8-(4-chloro-2-pyrrol-1-yl-phenyl)-2-hydroxy-octyl]-2-hydroxy-butanedioate CAS Name: 2-[8-[4-chloro-2-(1-pyrrolyl)phenyl]-2-hydroxyoctyl]-2-hydroxybutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[8-(4-chloro-2-pyrrol-1-ylphenyl)-2-hydroxyoctyl]-2-hydroxybutanedioate Traditional Name: 2-[8-(4-chloro-2-pyrrol-1-yl-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid dimethyl ester Formula: C24H32ClNO6 MolecularWeight: 465.96698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(CCCCCCC1=C(C=C(C=C1)Cl)N2C=CC=C2)O)(C(=O)OC)O

Isomeric SMILES

COC(=O)CC(CC(CCCCCCC1=C(C=C(C=C1)Cl)N2C=CC=C2)O)(C(=O)OC)O

InChI

InChI=1S/C24H32ClNO6/c1-31-22(28)17-24(30,23(29)32-2)16-20(27)10-6-4-3-5-9-18-11-12-19(25)15-21(18)26-13-7-8-14-26/h7-8,11-15,20,27,30H,3-6,9-10,16-17H2,1-2H3