(E,4S,5S)-5-(4-methoxy-3-oxidanyl-phenyl)-4-methyl-5-(phenylcarbonylcarbamoyloxy)pent-2-enoic acid

Systemtic Name: (E,4S,5S)-5-(4-methoxy-3-oxidanyl-phenyl)-4-methyl-5-(phenylcarbonylcarbamoyloxy)pent-2-enoic acid Openeye Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(3-hydroxy-4-methoxy-phenyl)-4-methyl-pent-2-enoic acid CAS Name: (E,4S,5S)-5-[benzamido(oxo)methoxy]-5-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-pentenoic acid IUPAC Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(3-hydroxy-4-methoxyphenyl)-4-methylpent-2-enoic acid Traditional Name: (E,4S,5S)-5-(benzoylcarbamoyloxy)-5-(3-hydroxy-4-methoxy-phenyl)-4-methyl-pent-2-enoic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](/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/C21H21NO7/c1-13(8-11-18(24)25)19(15-9-10-17(28-2)16(23)12-15)29-21(27)22-20(26)14-6-4-3-5-7-14/h3-13,19,23H,1-2H3,(H,24,25)(H,22,26,27)/b11-8+/t13-,19-/m0/s1