butyl (6R)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: butyl (6R)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: butyl (6R)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester IUPAC Name: butyl (6R)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-ethylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)CC)C

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)CC)C

InChI

InChI=1S/C22H27NO3/c1-4-6-11-26-22(25)21-14(3)20-18(23-21)12-17(13-19(20)24)16-9-7-15(5-2)8-10-16/h7-10,17,23H,4-6,11-13H2,1-3H3/t17-/m1/s1