3-(1-hexylindol-3-yl)propanoate

Systemtic Name: 3-(1-hexylindol-3-yl)propanoate Openeye Name: 3-(1-hexylindol-3-yl)propanoate CAS Name: 3-(1-hexyl-3-indolyl)propanoate IUPAC Name: 3-(1-hexylindol-3-yl)propanoate Traditional Name: 3-(1-hexylindol-3-yl)propionate Formula: C17H22NO2- MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C2=CC=CC=C21)CCC(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(C2=CC=CC=C21)CCC(=O)[O-]

InChI

InChI=1S/C17H23NO2/c1-2-3-4-7-12-18-13-14(10-11-17(19)20)15-8-5-6-9-16(15)18/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H,19,20)/p-1