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

Systemtic Name: (phenylmethyl) 3-[4-(chloromethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: benzyl 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-(chloromethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-(chloromethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylic acid benzyl ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CCl

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CCl

InChI

InChI=1S/C27H23ClN2O4/c1-29(2)27(33)30-16-22(25(31)20-13-11-18(15-28)12-14-20)24-21(9-6-10-23(24)30)26(32)34-17-19-7-4-3-5-8-19/h3-14,16H,15,17H2,1-2H3