5-acetyloxy-1-butyl-2-methyl-indole-3-carboxylic acid

Systemtic Name: 5-acetyloxy-1-butyl-2-methyl-indole-3-carboxylic acid Openeye Name: 5-acetoxy-1-butyl-2-methyl-indole-3-carboxylic acid CAS Name: 5-acetyloxy-1-butyl-2-methyl-3-indolecarboxylic acid IUPAC Name: 5-acetyloxy-1-butyl-2-methylindole-3-carboxylic acid Traditional Name: 5-acetoxy-1-butyl-2-methyl-indole-3-carboxylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C)C(=O)O)C

InChI

InChI=1S/C16H19NO4/c1-4-5-8-17-10(2)15(16(19)20)13-9-12(21-11(3)18)6-7-14(13)17/h6-7,9H,4-5,8H2,1-3H3,(H,19,20)