ethyl 1-cyclohexyl-2-methyl-5-(2-oxidanylidenepropoxy)indole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-2-methyl-5-(2-oxidanylidenepropoxy)indole-3-carboxylate Openeye Name: ethyl 5-acetonyloxy-1-cyclohexyl-2-methyl-indole-3-carboxylate CAS Name: 1-cyclohexyl-2-methyl-5-(2-oxopropoxy)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclohexyl-2-methyl-5-(2-oxopropoxy)indole-3-carboxylate Traditional Name: 5-acetonyloxy-1-cyclohexyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)C)C3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)C)C3CCCCC3)C

InChI

InChI=1S/C21H27NO4/c1-4-25-21(24)20-15(3)22(16-8-6-5-7-9-16)19-11-10-17(12-18(19)20)26-13-14(2)23/h10-12,16H,4-9,13H2,1-3H3