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

Systemtic Name: pentyl (6R)-3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-3-4-8-11-25-21(24)20-14(2)19-17(22-20)12-16(13-18(19)23)15-9-6-5-7-10-15/h5-7,9-10,16,22H,3-4,8,11-13H2,1-2H3/t16-/m1/s1