methyl 3-[4-(chloromethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-5-carboxylate

Systemtic Name: methyl 3-[4-(chloromethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-5-carboxylate Openeye Name: methyl 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-5-carboxylate CAS Name: 3-[[4-(chloromethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-5-carboxylate Traditional Name: 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-5-carboxylic acid methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C1C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCl

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C1C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCl

InChI

InChI=1S/C21H19ClN2O4/c1-23(2)21(27)24-12-17(19(25)14-6-4-13(11-22)5-7-14)16-10-15(20(26)28-3)8-9-18(16)24/h4-10,12H,11H2,1-3H3