5-ethyl-3-(hydroxymethyl)-2-pentyl-1-phenethyl-indole-6-carboxylic acid

Systemtic Name: 5-ethyl-3-(hydroxymethyl)-2-pentyl-1-phenethyl-indole-6-carboxylic acid Openeye Name: 5-ethyl-3-(hydroxymethyl)-2-pentyl-1-phenethyl-indole-6-carboxylic acid CAS Name: 5-ethyl-3-(hydroxymethyl)-2-pentyl-1-phenethyl-6-indolecarboxylic acid IUPAC Name: 5-ethyl-3-(hydroxymethyl)-2-pentyl-1-phenethylindole-6-carboxylic acid Traditional Name: 2-amyl-5-ethyl-3-methylol-1-phenethyl-indole-6-carboxylic acid Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)O)CC)CO

Isomeric SMILES

CCCCCC1=C(C2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)O)CC)CO

InChI

InChI=1S/C25H31NO3/c1-3-5-7-12-23-22(17-27)21-15-19(4-2)20(25(28)29)16-24(21)26(23)14-13-18-10-8-6-9-11-18/h6,8-11,15-16,27H,3-5,7,12-14,17H2,1-2H3,(H,28,29)