3-[1-(cyclohexylmethyl)-3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-(cyclohexylmethyl)-3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-(cyclohexylmethyl)-3-(2,5-dimethylphenyl)sulfanyl-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-(cyclohexylmethyl)-3-[(2,5-dimethylphenyl)thio]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-(cyclohexylmethyl)-3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(cyclohexylmethyl)-3-[(2,5-dimethylphenyl)thio]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C31H41NO2S MolecularWeight: 491.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4CCCCC4)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4CCCCC4)CC(C)(C)C(=O)O

InChI

InChI=1S/C31H41NO2S/c1-20(2)24-14-15-26-25(17-24)29(35-28-16-21(3)12-13-22(28)4)27(18-31(5,6)30(33)34)32(26)19-23-10-8-7-9-11-23/h12-17,20,23H,7-11,18-19H2,1-6H3,(H,33,34)