5-[(2,6-dimethylphenyl)methoxy]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid

Systemtic Name: 5-[(2,6-dimethylphenyl)methoxy]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-2-carboxylic acid Openeye Name: 5-[(2,6-dimethylphenyl)methoxy]-1-(6-hydroxy-6-oxo-hexyl)indole-2-carboxylic acid CAS Name: 5-[(2,6-dimethylphenyl)methoxy]-1-(6-hydroxy-6-oxohexyl)-2-indolecarboxylic acid IUPAC Name: 5-[(2,6-dimethylphenyl)methoxy]-1-(6-hydroxy-6-oxohexyl)indole-2-carboxylic acid Traditional Name: 5-(2,6-dimethylbenzyl)oxy-1-(6-hydroxy-6-keto-hexyl)indole-2-carboxylic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCCCCC(=O)O

InChI

InChI=1S/C24H27NO5/c1-16-7-6-8-17(2)20(16)15-30-19-10-11-21-18(13-19)14-22(24(28)29)25(21)12-5-3-4-9-23(26)27/h6-8,10-11,13-14H,3-5,9,12,15H2,1-2H3,(H,26,27)(H,28,29)