diethyl 2-[6-chloranyl-2-(2-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate

Systemtic Name: diethyl 2-[6-chloranyl-2-(2-methylphenyl)carbonyl-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-[6-chloro-2-(2-methylbenzoyl)-1H-indol-3-yl]propanedioate CAS Name: 2-[6-chloro-2-[(2-methylphenyl)-oxomethyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-chloro-2-(2-methylbenzoyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-(6-chloro-2-o-toluoyl-1H-indol-3-yl)malonic acid diethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C23H22ClNO5/c1-4-29-22(27)19(23(28)30-5-2)18-16-11-10-14(24)12-17(16)25-20(18)21(26)15-9-7-6-8-13(15)3/h6-12,19,25H,4-5H2,1-3H3