(E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-[(1-naphthalenylamino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)O)OC(=O)NC2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC/C=C/C(=O)O)OC(=O)NC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C25H25NO6/c1-31-23-15-14-18(16-21(23)27)22(12-3-2-4-13-24(28)29)32-25(30)26-20-11-7-9-17-8-5-6-10-19(17)20/h4-11,13-16,22,27H,2-3,12H2,1H3,(H,26,30)(H,28,29)/b13-4+/t22-/m0/s1