(E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-[(1-naphthalenylamino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,7S)-7-(4-hydroxyphenyl)-6,6-dimethyl-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC=CC(=O)O)C(C1=CC=C(C=C1)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5/c1-26(2,17-6-5-12-23(29)30)24(19-13-15-20(28)16-14-19)32-25(31)27-22-11-7-9-18-8-3-4-10-21(18)22/h3-5,7-16,24,28H,6,17H2,1-2H3,(H,27,31)(H,29,30)/b12-5+/t24-/m1/s1