3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid CAS Name: 3-[1-(3-methylbut-2-enyl)-3-indolyl]propanoic acid IUPAC Name: 3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid Traditional Name: 3-[1-(3-methylbut-2-enyl)indol-3-yl]propionic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C=C(C2=CC=CC=C21)CCC(=O)O)C

Isomeric SMILES

CC(=CCN1C=C(C2=CC=CC=C21)CCC(=O)O)C

InChI

InChI=1S/C16H19NO2/c1-12(2)9-10-17-11-13(7-8-16(18)19)14-5-3-4-6-15(14)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19)