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

Systemtic Name: methyl 3-[4-(aminomethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-(aminomethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)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)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(C=C3)CN

InChI

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