5-(3-butan-2-yl-4-oxidanyl-phenoxy)-1,4,6-trimethyl-indole-2-carboxylic acid

Systemtic Name: 5-(3-butan-2-yl-4-oxidanyl-phenoxy)-1,4,6-trimethyl-indole-2-carboxylic acid Openeye Name: 5-(4-hydroxy-3-sec-butyl-phenoxy)-1,4,6-trimethyl-indole-2-carboxylic acid CAS Name: 5-(3-butan-2-yl-4-hydroxyphenoxy)-1,4,6-trimethyl-2-indolecarboxylic acid IUPAC Name: 5-(3-butan-2-yl-4-hydroxyphenoxy)-1,4,6-trimethylindole-2-carboxylic acid Traditional Name: 5-(4-hydroxy-3-sec-butyl-phenoxy)-1,4,6-trimethyl-indole-2-carboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)OC2=C(C3=C(C=C2C)N(C(=C3)C(=O)O)C)C)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)OC2=C(C3=C(C=C2C)N(C(=C3)C(=O)O)C)C)O

InChI

InChI=1S/C22H25NO4/c1-6-12(2)16-10-15(7-8-20(16)24)27-21-13(3)9-18-17(14(21)4)11-19(22(25)26)23(18)5/h7-12,24H,6H2,1-5H3,(H,25,26)