(E,5S)-5-(4-methoxy-3-oxidanyl-phenyl)-4,4-dimethyl-5-(naphthalen-1-ylcarbamoyloxy)pent-2-enoic acid

Systemtic Name: (E,5S)-5-(4-methoxy-3-oxidanyl-phenyl)-4,4-dimethyl-5-(naphthalen-1-ylcarbamoyloxy)pent-2-enoic acid Openeye Name: (E,5S)-5-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-5-(1-naphthylcarbamoyloxy)pent-2-enoic acid CAS Name: (E,5S)-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-5-[(1-naphthalenylamino)-oxomethoxy]-2-pentenoic acid IUPAC Name: (E,5S)-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-5-(naphthalen-1-ylcarbamoyloxy)pent-2-enoic acid Traditional Name: (E,5S)-5-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-5-(1-naphthylcarbamoyloxy)pent-2-enoic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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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=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO6/c1-25(2,14-13-22(28)29)23(17-11-12-21(31-3)20(27)15-17)32-24(30)26-19-10-6-8-16-7-4-5-9-18(16)19/h4-15,23,27H,1-3H3,(H,26,30)(H,28,29)/b14-13+/t23-/m1/s1