(E,6R,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-6-methyl-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,6R,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-6-methyl-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,6R,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)-6-methyl-hept-2-enoic acid CAS Name: (E,6R,7S)-7-[benzamido(oxo)methoxy]-7-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-heptenoic acid IUPAC Name: (E,6R,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxyphenyl)-6-methylhept-2-enoic acid Traditional Name: (E,6R,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)-6-methyl-hept-2-enoic acid Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=CC(=O)O)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC/C=C/C(=O)O)[C@@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H25NO7/c1-15(8-6-7-11-20(26)27)21(17-12-13-19(30-2)18(25)14-17)31-23(29)24-22(28)16-9-4-3-5-10-16/h3-5,7,9-15,21,25H,6,8H2,1-2H3,(H,26,27)(H,24,28,29)/b11-7+/t15-,21+/m1/s1