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

Systemtic Name: (E,3R,5S)-7-[(4R)-2-(4-fluoranyl-3-methyl-phenyl)-6,6-dimethyl-4-(phenylcarbamoyloxy)cyclohexen-1-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E,3R,5S)-7-[(4R)-2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-4-(phenylcarbamoyloxy)cyclohexen-1-yl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E,3R,5S)-7-[(4R)-4-[anilino(oxo)methoxy]-2-(4-fluoro-3-methylphenyl)-6,6-dimethyl-1-cyclohexenyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E,3R,5S)-7-[(4R)-2-(4-fluoro-3-methylphenyl)-6,6-dimethyl-4-(phenylcarbamoyloxy)cyclohexen-1-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E,3R,5S)-7-[(4R)-2-(4-fluoro-3-methyl-phenyl)-6,6-dimethyl-4-(phenylcarbamoyloxy)cyclohexen-1-yl]-3,5-dihydroxy-hept-6-enoic acid Formula: C29H34FNO6 MolecularWeight: 511.581763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(CC(C2)OC(=O)NC3=CC=CC=C3)(C)C)C=CC(CC(CC(=O)O)O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(C[C@H](C2)OC(=O)NC3=CC=CC=C3)(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)F

InChI

InChI=1S/C29H34FNO6/c1-18-13-19(9-12-26(18)30)24-16-23(37-28(36)31-20-7-5-4-6-8-20)17-29(2,3)25(24)11-10-21(32)14-22(33)15-27(34)35/h4-13,21-23,32-33H,14-17H2,1-3H3,(H,31,36)(H,34,35)/b11-10+/t21-,22-,23+/m1/s1