methyl 3-[4-(aminomethyl)phenyl]carbonyl-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate

Systemtic Name: methyl 3-[4-(aminomethyl)phenyl]carbonyl-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate Openeye Name: methyl 3-[4-(aminomethyl)benzoyl]-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate CAS Name: 3-[[4-(aminomethyl)phenyl]-oxomethyl]-2-[dimethylamino(oxo)methyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(aminomethyl)benzoyl]-2-(dimethylcarbamoyl)-1H-indole-4-carboxylate Traditional Name: 3-[4-(aminomethyl)benzoyl]-2-(dimethylcarbamoyl)-1H-indole-4-carboxylic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C2=C(C=CC=C2N1)C(=O)OC)C(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

CN(C)C(=O)C1=C(C2=C(C=CC=C2N1)C(=O)OC)C(=O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C21H21N3O4/c1-24(2)20(26)18-17(19(25)13-9-7-12(11-22)8-10-13)16-14(21(27)28-3)5-4-6-15(16)23-18/h4-10,23H,11,22H2,1-3H3