1-butylindole-3-carboxylate

Systemtic Name: 1-butylindole-3-carboxylate Openeye Name: 1-butylindole-3-carboxylate CAS Name: 1-butyl-3-indolecarboxylate IUPAC Name: 1-butylindole-3-carboxylate Traditional Name: 1-butylindole-3-carboxylate Formula: C13H14NO2- MolecularWeight: 216.25576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C13H15NO2/c1-2-3-8-14-9-11(13(15)16)10-6-4-5-7-12(10)14/h4-7,9H,2-3,8H2,1H3,(H,15,16)/p-1