[5-tert-butyl-2-[6-[4-(diphenylmethyl)piperidin-1-yl]-1-oxidanyl-hexyl]phenyl] butanoate

Systemtic Name: [5-tert-butyl-2-[6-[4-(diphenylmethyl)piperidin-1-yl]-1-oxidanyl-hexyl]phenyl] butanoate Openeye Name: [2-[6-(4-benzhydryl-1-piperidyl)-1-hydroxy-hexyl]-5-tert-butyl-phenyl] butanoate CAS Name: butanoic acid [5-tert-butyl-2-[6-[4-(diphenylmethyl)-1-piperidinyl]-1-hydroxyhexyl]phenyl] ester IUPAC Name: [2-[6-(4-benzhydrylpiperidin-1-yl)-1-hydroxyhexyl]-5-tert-butylphenyl] butanoate Traditional Name: butyric acid [2-[6-(4-benzhydrylpiperidino)-1-hydroxy-hexyl]-5-tert-butyl-phenyl] ester Formula: C38H51NO3 MolecularWeight: 569.81644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=CC(=C1)C(C)(C)C)C(CCCCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCC(=O)OC1=C(C=CC(=C1)C(C)(C)C)C(CCCCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C38H51NO3/c1-5-15-36(41)42-35-28-32(38(2,3)4)21-22-33(35)34(40)20-13-8-14-25-39-26-23-31(24-27-39)37(29-16-9-6-10-17-29)30-18-11-7-12-19-30/h6-7,9-12,16-19,21-22,28,31,34,37,40H,5,8,13-15,20,23-27H2,1-4H3