3-[1-[(4-chlorophenyl)methyl]-3-cyclohexylsulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-cyclohexylsulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-3-cyclohexylsulfanyl-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-(cyclohexylthio)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-cyclohexylsulfanyl-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-3-(cyclohexylthio)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H36ClNO2S MolecularWeight: 498.11964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3CCCCC3)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3CCCCC3)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H36ClNO2S/c1-19(2)21-12-15-25-24(16-21)27(34-23-8-6-5-7-9-23)26(17-29(3,4)28(32)33)31(25)18-20-10-13-22(30)14-11-20/h10-16,19,23H,5-9,17-18H2,1-4H3,(H,32,33)