3-[4-[2,6-bis(chloranyl)phenyl]carbonyloxycyclohexen-1-yl]-2-[[1-(3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[2,6-bis(chloranyl)phenyl]carbonyloxycyclohexen-1-yl]-2-[[1-(3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[4-(2,6-dichlorobenzoyl)oxycyclohexen-1-yl]-2-[[1-(3,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[4-[(2,6-dichlorophenyl)-oxomethoxy]-1-cyclohexenyl]-2-[[[1-(3,5-dimethylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2,6-dichlorobenzoyl)oxycyclohexen-1-yl]-2-[[1-(3,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[4-(2,6-dichlorobenzoyl)oxycyclohexen-1-yl]-2-[[1-(3,5-dimethylphenyl)sulfonylprolyl]amino]propionic acid Formula: C29H32Cl2N2O7S MolecularWeight: 623.54458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CCC(CC3)OC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CCC(CC3)OC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O)C

InChI

InChI=1S/C29H32Cl2N2O7S/c1-17-13-18(2)15-21(14-17)41(38,39)33-12-4-7-25(33)27(34)32-24(28(35)36)16-19-8-10-20(11-9-19)40-29(37)26-22(30)5-3-6-23(26)31/h3,5-6,8,13-15,20,24-25H,4,7,9-12,16H2,1-2H3,(H,32,34)(H,35,36)