ethyl 2-methyl-1-(3-methylbutyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(3-methylbutyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-isopentyl-2-methyl-indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-(3-methylbutyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-(3-methylbutyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-isoamyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCC(C)C)C

InChI

InChI=1S/C17H23NO3/c1-5-21-17(20)16-12(4)18(9-8-11(2)3)15-7-6-13(19)10-14(15)16/h6-7,10-11,19H,5,8-9H2,1-4H3