ethyl 1-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoyl]isonipecotic acid ethyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C25H28ClN3O3/c1-2-32-25(31)17-11-14-29(15-12-17)23(30)8-5-6-19-20-16-18(26)9-10-21(20)28-24(19)22-7-3-4-13-27-22/h3-4,7,9-10,13,16-17,28H,2,5-6,8,11-12,14-15H2,1H3