(E,7S)-6,6-dimethyl-7-(4-oxidanylnaphthalen-1-yl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,7S)-6,6-dimethyl-7-(4-oxidanylnaphthalen-1-yl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(4-hydroxy-1-naphthyl)-6,6-dimethyl-hept-2-enoic acid CAS Name: (E,7S)-7-[benzamido(oxo)methoxy]-7-(4-hydroxy-1-naphthalenyl)-6,6-dimethyl-2-heptenoic acid IUPAC Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(4-hydroxynaphthalen-1-yl)-6,6-dimethylhept-2-enoic acid Traditional Name: (E,7S)-7-(benzoylcarbamoyloxy)-7-(4-hydroxy-1-naphthyl)-6,6-dimethyl-hept-2-enoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC=CC(=O)O)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC/C=C/C(=O)O)[C@@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO6/c1-27(2,17-9-8-14-23(30)31)24(21-15-16-22(29)20-13-7-6-12-19(20)21)34-26(33)28-25(32)18-10-4-3-5-11-18/h3-8,10-16,24,29H,9,17H2,1-2H3,(H,30,31)(H,28,32,33)/b14-8+/t24-/m1/s1