ethyl 2-[(4-aminocarbonylpiperidin-1-yl)methyl]-6-bromanyl-5-methoxy-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 2-[(4-aminocarbonylpiperidin-1-yl)methyl]-6-bromanyl-5-methoxy-1-methyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-carbamoyl-1-piperidyl)methyl]-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[(4-carbamoyl-1-piperidinyl)methyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-carbamoylpiperidin-1-yl)methyl]-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[(4-carbamoylpiperidino)methyl]-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H26BrN3O4 MolecularWeight: 452.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H26BrN3O4/c1-4-28-20(26)18-13-9-17(27-3)14(21)10-15(13)23(2)16(18)11-24-7-5-12(6-8-24)19(22)25/h9-10,12H,4-8,11H2,1-3H3,(H2,22,25)