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

Systemtic Name: 4-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-phenylsulfanyl-indol-2-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[1-[(4-chlorophenyl)methyl]-3-(phenylthio)-5-propan-2-yl-2-indolyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[1-(4-chlorobenzyl)-5-isopropyl-3-(phenylthio)indol-2-yl]-2,2-dimethyl-butyric acid Formula: C30H32ClNO2S MolecularWeight: 506.09858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CCC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CCC(C)(C)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H32ClNO2S/c1-20(2)22-12-15-26-25(18-22)28(35-24-8-6-5-7-9-24)27(16-17-30(3,4)29(33)34)32(26)19-21-10-13-23(31)14-11-21/h5-15,18,20H,16-17,19H2,1-4H3,(H,33,34)