methyl (E)-7-[3,5-bis(oxidanyl)-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3,5-bis(oxidanyl)-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3,5-dihydroxy-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[[anilino(oxo)methoxy]methyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3,5-dihydroxy-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3,5-dihydroxy-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(C1COC(=O)NC2=CC=CC=C2)O)O

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(C1COC(=O)NC2=CC=CC=C2)O)O

InChI

InChI=1S/C21H29NO6/c1-27-20(25)12-8-3-2-7-11-16-17(19(24)13-18(16)23)14-28-21(26)22-15-9-5-4-6-10-15/h2,4-7,9-10,16-19,23-24H,3,8,11-14H2,1H3,(H,22,26)/b7-2+