1-(4-oxidanyl-4-oxidanylidene-butyl)-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 1-(4-oxidanyl-4-oxidanylidene-butyl)-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-(4-hydroxy-4-oxo-butyl)indole-2-carboxylic acid CAS Name: 1-(4-hydroxy-4-oxobutyl)-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-(4-hydroxy-4-oxobutyl)-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-(4-hydroxy-4-keto-butyl)indole-2-carboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c22-19(23)7-4-10-21-17-9-8-16(11-15(17)12-18(21)20(24)25)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,23)(H,24,25)