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

Systemtic Name: ethyl (6R)-6-(4-chlorophenyl)-4-oxidanylidene-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6R)-6-(4-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-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=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-3-5-15-18-16(22-19(15)20(24)25-4-2)10-13(11-17(18)23)12-6-8-14(21)9-7-12/h6-9,13,22H,3-5,10-11H2,1-2H3/t13-/m1/s1