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

Systemtic Name: (E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid CAS Name: (E,7S)-7-[benzamido(oxo)methoxy]-7-(3-hydroxy-4-methoxyphenyl)-2-heptenoic acid IUPAC Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxyphenyl)hept-2-enoic acid Traditional Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)O)OC(=O)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC/C=C/C(=O)O)OC(=O)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H23NO7/c1-29-19-13-12-16(14-17(19)24)18(10-6-3-7-11-20(25)26)30-22(28)23-21(27)15-8-4-2-5-9-15/h2,4-5,7-9,11-14,18,24H,3,6,10H2,1H3,(H,25,26)(H,23,27,28)/b11-7+/t18-/m0/s1