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

Systemtic Name: ethyl (6R)-6-(2-chlorophenyl)-4-oxidanylidene-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6R)-6-(2-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(2-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(2-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(2-chlorophenyl)-4-keto-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C20H22ClNO3/c1-3-7-14-18-16(22-19(14)20(24)25-4-2)10-12(11-17(18)23)13-8-5-6-9-15(13)21/h5-6,8-9,12,22H,3-4,7,10-11H2,1-2H3/t12-/m1/s1