3-[1-(3-methylbutyl)indol-3-yl]propanoate

Systemtic Name: 3-[1-(3-methylbutyl)indol-3-yl]propanoate Openeye Name: 3-(1-isopentylindol-3-yl)propanoate CAS Name: 3-[1-(3-methylbutyl)-3-indolyl]propanoate IUPAC Name: 3-[1-(3-methylbutyl)indol-3-yl]propanoate Traditional Name: 3-(1-isoamylindol-3-yl)propionate Formula: C16H20NO2- MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C2=CC=CC=C21)CCC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C=C(C2=CC=CC=C21)CCC(=O)[O-]

InChI

InChI=1S/C16H21NO2/c1-12(2)9-10-17-11-13(7-8-16(18)19)14-5-3-4-6-15(14)17/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/p-1