tert-butyl 4-[2,3-bis(chloranyl)phenyl]-6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-5-ethanoyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: tert-butyl 4-[2,3-bis(chloranyl)phenyl]-6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-5-ethanoyl-2-methyl-pyridine-3-carboxylate Openeye Name: tert-butyl 5-acetyl-4-(2,3-dichlorophenyl)-6-[4-(4,4-diphenyl-1-piperidyl)butyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-acetyl-4-(2,3-dichlorophenyl)-6-[4-(4,4-diphenyl-1-piperidinyl)butyl]-2-methyl-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-4-(2,3-dichlorophenyl)-6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-acetyl-4-(2,3-dichlorophenyl)-6-[4-(4,4-diphenylpiperidino)butyl]-2-methyl-nicotinic acid tert-butyl ester Formula: C40H44Cl2N2O3 MolecularWeight: 671.69496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)CCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C5=C(C(=CC=C5)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)CCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C5=C(C(=CC=C5)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H44Cl2N2O3/c1-27-34(38(46)47-39(3,4)5)36(31-19-14-20-32(41)37(31)42)35(28(2)45)33(43-27)21-12-13-24-44-25-22-40(23-26-44,29-15-8-6-9-16-29)30-17-10-7-11-18-30/h6-11,14-20H,12-13,21-26H2,1-5H3