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

Systemtic Name: methyl 3-[4-(aminomethyl)cyclohexyl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[4-(aminomethyl)cyclohexanecarbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[4-(aminomethyl)cyclohexyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(aminomethyl)cyclohexanecarbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[4-(aminomethyl)cyclohexanecarbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3CCC(CC3)CN

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3CCC(CC3)CN

InChI

InChI=1S/C21H27N3O4/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/h4-6,12-14H,7-11,22H2,1-3H3