2-azanyl-3-(1H-indol-3-yl)propanoic acid; octanoate

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; octanoate Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; octanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; octanoate IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; octanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; caprylate Formula: C19H27N2O4- MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C8H16O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-2-3-4-5-6-7-8(9)10/h1-4,6,9,13H,5,12H2,(H,14,15);2-7H2,1H3,(H,9,10)/p-1