methyl 5-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(1-piperidylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 5-[4-(1-piperidinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 5-[4-(piperidinomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=NC=C(C=C12)C3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

COC(=O)C1=CNC2=NC=C(C=C12)C3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C21H23N3O2/c1-26-21(25)19-13-23-20-18(19)11-17(12-22-20)16-7-5-15(6-8-16)14-24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,22,23)