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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-(cyclopropylmethylsulfanyl)-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-3-(cyclopropylmethylsulfanyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-(cyclopropylmethylthio)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-(cyclopropylmethylsulfanyl)-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-3-(cyclopropylmethylthio)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C27H32ClNO2S MolecularWeight: 470.06648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SCC3CC3)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SCC3CC3)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H32ClNO2S/c1-17(2)20-9-12-23-22(13-20)25(32-16-19-5-6-19)24(14-27(3,4)26(30)31)29(23)15-18-7-10-21(28)11-8-18/h7-13,17,19H,5-6,14-16H2,1-4H3,(H,30,31)