4-[[3-chloranyl-2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-2-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]benzothiophen-6-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]-1-benzothiophen-6-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]-1-benzothiophen-6-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-chloro-2-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]benzothiophen-6-yl]oxymethyl]benzoic acid Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=C(C4=C(S3)C=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=C(C4=C(S3)C=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Cl

InChI

InChI=1S/C27H28ClNO4S/c28-25-22-11-10-21(33-16-17-6-8-18(9-7-17)27(31)32)15-23(22)34-24(25)14-19-12-13-29(26(19)30)20-4-2-1-3-5-20/h6-11,15,19-20H,1-5,12-14,16H2,(H,31,32)