ethyl 1-[(4-chlorophenyl)methyl]-3-(2,2-dicyanoethyl)indole-2-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-3-(2,2-dicyanoethyl)indole-2-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-3-(2,2-dicyanoethyl)indole-2-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-3-(2,2-dicyanoethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-3-(2,2-dicyanoethyl)indole-2-carboxylate Traditional Name: 1-(4-chlorobenzyl)-3-(2,2-dicyanoethyl)indole-2-carboxylic acid ethyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)CC(C#N)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)CC(C#N)C#N

InChI

InChI=1S/C22H18ClN3O2/c1-2-28-22(27)21-19(11-16(12-24)13-25)18-5-3-4-6-20(18)26(21)14-15-7-9-17(23)10-8-15/h3-10,16H,2,11,14H2,1H3