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

Systemtic Name: (E,5S)-5-(4-methoxy-3-oxidanyl-phenyl)-4,4-dimethyl-5-(phenylcarbamoyloxy)pent-2-enoic acid Openeye Name: (E,5S)-5-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-5-(phenylcarbamoyloxy)pent-2-enoic acid CAS Name: (E,5S)-5-[anilino(oxo)methoxy]-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-pentenoic acid IUPAC Name: (E,5S)-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-5-(phenylcarbamoyloxy)pent-2-enoic acid Traditional Name: (E,5S)-5-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-5-(phenylcarbamoyloxy)pent-2-enoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC(=O)O)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(/C=C/C(=O)O)[C@@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23NO6/c1-21(2,12-11-18(24)25)19(14-9-10-17(27-3)16(23)13-14)28-20(26)22-15-7-5-4-6-8-15/h4-13,19,23H,1-3H3,(H,22,26)(H,24,25)/b12-11+/t19-/m1/s1