2-[3-(3-methylbutyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-methylbutyl)indol-1-yl]ethanoic acid Openeye Name: 2-(3-isopentylindol-1-yl)acetic acid CAS Name: 2-[3-(3-methylbutyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(3-methylbutyl)indol-1-yl]acetic acid Traditional Name: 2-(3-isoamylindol-1-yl)acetic acid Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CN(C2=CC=CC=C21)CC(=O)O

Isomeric SMILES

CC(C)CCC1=CN(C2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C15H19NO2/c1-11(2)7-8-12-9-16(10-15(17)18)14-6-4-3-5-13(12)14/h3-6,9,11H,7-8,10H2,1-2H3,(H,17,18)