methyl (E)-7-[3-oxidanyl-1-(4-phenylphenyl)-2-piperidin-1-yl-cyclopentyl]hept-4-eneperoxoate

Systemtic Name: methyl (E)-7-[3-oxidanyl-1-(4-phenylphenyl)-2-piperidin-1-yl-cyclopentyl]hept-4-eneperoxoate Openeye Name: methyl (E)-7-[3-hydroxy-1-(4-phenylphenyl)-2-(1-piperidyl)cyclopentyl]hept-4-eneperoxoate CAS Name: (E)-7-[3-hydroxy-1-(4-phenylphenyl)-2-(1-piperidinyl)cyclopentyl]-4-hepteneperoxoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-1-(4-phenylphenyl)-2-piperidin-1-ylcyclopentyl]hept-4-eneperoxoate Traditional Name: (E)-7-[3-hydroxy-1-(4-phenylphenyl)-2-piperidino-cyclopentyl]hept-4-eneperoxoic acid methyl ester Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

COOC(=O)CCC=CCCC1(CCC(C1N2CCCCC2)O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COOC(=O)CC/C=C/CCC1(CCC(C1N2CCCCC2)O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H39NO4/c1-34-35-28(33)14-8-2-3-9-20-30(21-19-27(32)29(30)31-22-10-5-11-23-31)26-17-15-25(16-18-26)24-12-6-4-7-13-24/h2-4,6-7,12-13,15-18,27,29,32H,5,8-11,14,19-23H2,1H3/b3-2+