(E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoranyl-3-methyl-phenyl)-6,6-dimethyl-cyclohexen-1-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoranyl-3-methyl-phenyl)-6,6-dimethyl-cyclohexen-1-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-cyclohexen-1-yl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoro-3-methylphenyl)-6,6-dimethyl-1-cyclohexenyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoro-3-methylphenyl)-6,6-dimethylcyclohexen-1-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E,3R,5S)-7-[(4S)-4-(ethylcarbamoyloxy)-2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-cyclohexen-1-yl]-3,5-dihydroxy-hept-6-enoic acid Formula: C25H34FNO6 MolecularWeight: 463.538963

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1CC(=C(C(C1)(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCNC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C25H34FNO6/c1-5-27-24(32)33-19-13-20(16-6-9-22(26)15(2)10-16)21(25(3,4)14-19)8-7-17(28)11-18(29)12-23(30)31/h6-10,17-19,28-29H,5,11-14H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t17-,18-,19-/m1/s1