1-(3-methylbutyl)indole-2-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)indole-2-carboxylic acid Openeye Name: 1-isopentylindole-2-carboxylic acid CAS Name: 1-(3-methylbutyl)-2-indolecarboxylic acid IUPAC Name: 1-(3-methylbutyl)indole-2-carboxylic acid Traditional Name: 1-isoamylindole-2-carboxylic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C14H17NO2/c1-10(2)7-8-15-12-6-4-3-5-11(12)9-13(15)14(16)17/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)