3-(2-methylpropanoyl)-1-prop-2-enyl-2-propyl-indole-6-carboxylic acid

Systemtic Name: 3-(2-methylpropanoyl)-1-prop-2-enyl-2-propyl-indole-6-carboxylic acid Openeye Name: 1-allyl-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 3-(2-methyl-1-oxopropyl)-1-prop-2-enyl-2-propyl-6-indolecarboxylic acid IUPAC Name: 3-(2-methylpropanoyl)-1-prop-2-enyl-2-propylindole-6-carboxylic acid Traditional Name: 1-allyl-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC=C)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC=C)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C19H23NO3/c1-5-7-15-17(18(21)12(3)4)14-9-8-13(19(22)23)11-16(14)20(15)10-6-2/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3,(H,22,23)