methyl 1-(dimethylcarbamoyl)-3-[4-[(2-phenylethanoylamino)methyl]cyclohexyl]carbonyl-indole-4-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-3-[4-[(2-phenylethanoylamino)methyl]cyclohexyl]carbonyl-indole-4-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]indole-4-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-3-[oxo-[4-[[(1-oxo-2-phenylethyl)amino]methyl]cyclohexyl]methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]indole-4-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-3-[4-[[(2-phenylacetyl)amino]methyl]cyclohexanecarbonyl]indole-4-carboxylic acid methyl ester Formula: C29H33N3O5 MolecularWeight: 503.58942

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)CNC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3CCC(CC3)CNC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O5/c1-31(2)29(36)32-18-23(26-22(28(35)37-3)10-7-11-24(26)32)27(34)21-14-12-20(13-15-21)17-30-25(33)16-19-8-5-4-6-9-19/h4-11,18,20-21H,12-17H2,1-3H3,(H,30,33)