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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-3-4-5-9-12-26-22(25)21-15(2)20-18(23-21)13-17(14-19(20)24)16-10-7-6-8-11-16/h6-8,10-11,17,23H,3-5,9,12-14H2,1-2H3/t17-/m1/s1