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

Systemtic Name: pentyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: pentyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid pentyl ester IUPAC Name: pentyl (6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(2-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid amyl ester Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H24ClNO3/c1-3-4-7-10-26-21(25)20-13(2)19-17(23-20)11-14(12-18(19)24)15-8-5-6-9-16(15)22/h5-6,8-9,14,23H,3-4,7,10-12H2,1-2H3/t14-/m1/s1