methyl 3-(2-methylpropanoyl)-1-prop-2-enyl-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoyl)-1-prop-2-enyl-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-allyl-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate CAS Name: 3-(2-methyl-1-oxopropyl)-1-prop-2-enyl-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoyl)-1-prop-2-enyl-2-propylindole-6-carboxylate Traditional Name: 1-allyl-3-isobutyryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-6-8-16-18(19(22)13(3)4)15-10-9-14(20(23)24-5)12-17(15)21(16)11-7-2/h7,9-10,12-13H,2,6,8,11H2,1,3-5H3