3-[3-tert-butylsulfanyl-1-(3-phenylpropyl)-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-(3-phenylpropyl)-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-isopropyl-1-(3-phenylpropyl)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-(3-phenylpropyl)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-(3-phenylpropyl)-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-isopropyl-1-(3-phenylpropyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H39NO2S MolecularWeight: 465.69046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C29H39NO2S/c1-20(2)22-15-16-24-23(18-22)26(33-28(3,4)5)25(19-29(6,7)27(31)32)30(24)17-11-14-21-12-9-8-10-13-21/h8-10,12-13,15-16,18,20H,11,14,17,19H2,1-7H3,(H,31,32)