1-octan-3-ylindole-3-carboxylate hydrochloride

Systemtic Name: 1-octan-3-ylindole-3-carboxylate hydrochloride Openeye Name: 1-(1-ethylhexyl)indole-3-carboxylate hydrochloride CAS Name: 1-octan-3-yl-3-indolecarboxylate hydrochloride IUPAC Name: 1-octan-3-ylindole-3-carboxylate hydrochloride Traditional Name: 1-(1-ethylhexyl)indole-3-carboxylate hydrochloride Formula: C17H23ClNO2- MolecularWeight: 308.82302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N1C=C(C2=CC=CC=C21)C(=O)[O-].Cl

Isomeric SMILES

CCCCCC(CC)N1C=C(C2=CC=CC=C21)C(=O)[O-].Cl

InChI

InChI=1S/C17H23NO2.ClH/c1-3-5-6-9-13(4-2)18-12-15(17(19)20)14-10-7-8-11-16(14)18;/h7-8,10-13H,3-6,9H2,1-2H3,(H,19,20);1H/p-1