diethyl 5-chloranyl-1-(phenylmethyl)indole-2,3-dicarboxylate

Systemtic Name: diethyl 5-chloranyl-1-(phenylmethyl)indole-2,3-dicarboxylate Openeye Name: diethyl 1-benzyl-5-chloro-indole-2,3-dicarboxylate CAS Name: 5-chloro-1-(phenylmethyl)indole-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-benzyl-5-chloroindole-2,3-dicarboxylate Traditional Name: 1-benzyl-5-chloro-indole-2,3-dicarboxylic acid diethyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H20ClNO4/c1-3-26-20(24)18-16-12-15(22)10-11-17(16)23(19(18)21(25)27-4-2)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3