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

Systemtic Name: 5-(3-butan-2-yl-4-oxidanyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 5-(4-hydroxy-3-sec-butyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 5-(3-butan-2-yl-4-hydroxyphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 5-(3-butan-2-yl-4-hydroxyphenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 5-(4-hydroxy-3-sec-butyl-phenoxy)-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-5-11(2)15-9-14(6-7-19(15)23)26-20-12(3)8-17-16(13(20)4)10-18(22-17)21(24)25/h6-11,22-23H,5H2,1-4H3,(H,24,25)