2-dimethylaminoethyl 6-bromanyl-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 6-bromanyl-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 6-bromo-5-methoxy-1-methyl-2-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-(1-piperidinylmethyl)-3-indolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-(piperidinomethyl)indole-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C21H30BrN3O3 MolecularWeight: 452.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CN3CCCCC3)C(=O)OCCN(C)C)OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CN3CCCCC3)C(=O)OCCN(C)C)OC)Br

InChI

InChI=1S/C21H30BrN3O3/c1-23(2)10-11-28-21(26)20-15-12-19(27-4)16(22)13-17(15)24(3)18(20)14-25-8-6-5-7-9-25/h12-13H,5-11,14H2,1-4H3