2-butyl-1-methyl-indole-3-carboxylic acid

Systemtic Name: 2-butyl-1-methyl-indole-3-carboxylic acid Openeye Name: 2-butyl-1-methyl-indole-3-carboxylic acid CAS Name: 2-butyl-1-methyl-3-indolecarboxylic acid IUPAC Name: 2-butyl-1-methylindole-3-carboxylic acid Traditional Name: 2-butyl-1-methyl-indole-3-carboxylic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N1C)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N1C)C(=O)O

InChI

InChI=1S/C14H17NO2/c1-3-4-8-12-13(14(16)17)10-7-5-6-9-11(10)15(12)2/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)