ethyl 5-(3-cyano-2-oxidanylidene-propoxy)-2-methyl-1-(2-methylpropyl)indole-3-carboxylate

Systemtic Name: ethyl 5-(3-cyano-2-oxidanylidene-propoxy)-2-methyl-1-(2-methylpropyl)indole-3-carboxylate Openeye Name: ethyl 5-(3-cyano-2-oxo-propoxy)-1-isobutyl-2-methyl-indole-3-carboxylate CAS Name: 5-(3-cyano-2-oxopropoxy)-2-methyl-1-(2-methylpropyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyano-2-oxopropoxy)-2-methyl-1-(2-methylpropyl)indole-3-carboxylate Traditional Name: 5-(3-cyano-2-keto-propoxy)-1-isobutyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)CC(C)C)C

InChI

InChI=1S/C20H24N2O4/c1-5-25-20(24)19-14(4)22(11-13(2)3)18-7-6-16(10-17(18)19)26-12-15(23)8-9-21/h6-7,10,13H,5,8,11-12H2,1-4H3