ethyl 6-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]piperazino]nicotinic acid ethyl ester Formula: C29H41N3O4 MolecularWeight: 495.65354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H41N3O4/c1-8-36-27(35)21-10-11-24(30-19-21)31-13-15-32(16-14-31)25(33)12-9-20-17-22(28(2,3)4)26(34)23(18-20)29(5,6)7/h10-11,17-19,34H,8-9,12-16H2,1-7H3