CAS RN: 99603-86-8
CAS Name: acetic acid [(E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ester
OPENEYE Name: [(E,1S)-1-ethynyl-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [(E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](C#C)OC(=O)C
Structure:
CAS RN: 99603-85-7
CAS Name: acetic acid [(E,3S)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] ester
OPENEYE Name: [(E,1S)-1-ethynyl-2-methyl-3-phenyl-allyl] acetate
IUPAC Name: [(E,3S)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [(E,3S)-2-methyl-1-phenyl-pent-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: C/C(=C\C1=CC=CC=C1)/[C@H](C#C)OC(=O)C
Structure:
CAS RN: 99566-51-5
CAS Name: (4R)-2,2-dimethyl-4-[(E)-1-(3-phenoxyphenyl)prop-1-en-2-yl]-1,3-dioxolane
OPENEYE Name: (4R)-2,2-dimethyl-4-[(E)-1-methyl-2-(3-phenoxyphenyl)vinyl]-1,3-dioxolane
IUPAC Name: (4R)-2,2-dimethyl-4-[(E)-1-(3-phenoxyphenyl)prop-1-en-2-yl]-1,3-dioxolane
SYSTEMATIC NAME: (4R)-2,2-dimethyl-4-[(E)-1-(3-phenoxyphenyl)prop-1-en-2-yl]-1,3-dioxolane
MOLECULAR FORMULA: C20H22O3
MOLECULAR WEIGHT: 310.38688
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H]3COC(O3)(C)C
Structure:
CAS RN: 99566-50-4
CAS Name: (E,2R)-3-methyl-4-(3-phenoxyphenyl)-3-butene-1,2-diol
OPENEYE Name: (E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol
IUPAC Name: (E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol
SYSTEMATIC NAME: (E,2R)-3-methyl-4-(3-phenoxyphenyl)but-3-ene-1,2-diol
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](CO)O
Structure:
CAS RN: 99566-49-1
CAS Name: (E,2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-3-butenoic acid methyl ester
OPENEYE Name: methyl (E,2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
IUPAC Name: methyl (E,2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
SYSTEMATIC NAME: methyl (E,2R)-3-methyl-2-oxidanyl-4-(3-phenoxyphenyl)but-3-enoate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](C(=O)OC)O
Structure:
CAS RN: 99566-48-0
CAS Name: (E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-3-butenenitrile
OPENEYE Name: (E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enenitrile
IUPAC Name: (E,2S)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enenitrile
SYSTEMATIC NAME: (E,2S)-3-methyl-2-oxidanyl-4-(3-phenoxyphenyl)but-3-enenitrile
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H](C#N)O
Structure:
CAS RN: 99566-47-9
CAS Name: acetic acid [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/C(C#N)OC(=O)C
Structure:
CAS RN: 99566-46-8
CAS Name: 4-bromobenzoic acid [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] ester
OPENEYE Name: [(E,1R)-1-ethyl-2-methyl-3-(3-phenoxyphenyl)allyl] 4-bromobenzoate
IUPAC Name: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] 4-bromobenzoate
SYSTEMATIC NAME: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] 4-bromanylbenzoate
MOLECULAR FORMULA: C25H23BrO3
MOLECULAR WEIGHT: 451.35232
SMILES: CC[C@H](/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C)OC(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 99566-45-7
CAS Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)-1-penten-3-ol
OPENEYE Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-ol
IUPAC Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-ol
SYSTEMATIC NAME: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-ol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC[C@H](/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C)O
Structure:
CAS RN: 99566-44-6
CAS Name: 4-bromobenzoic acid [(E,3R)-2-methyl-1-phenylpent-1-en-3-yl] ester
OPENEYE Name: [(E,1R)-1-ethyl-2-methyl-3-phenyl-allyl] 4-bromobenzoate
IUPAC Name: [(E,3R)-2-methyl-1-phenylpent-1-en-3-yl] 4-bromobenzoate
SYSTEMATIC NAME: [(E,3R)-2-methyl-1-phenyl-pent-1-en-3-yl] 4-bromanylbenzoate
MOLECULAR FORMULA: C19H19BrO2
MOLECULAR WEIGHT: 359.25696
SMILES: CC[C@H](/C(=C/C1=CC=CC=C1)/C)OC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 99566-43-5
CAS Name: (E,3R)-2-methyl-1-phenyl-1-penten-3-ol
OPENEYE Name: (E,3R)-2-methyl-1-phenyl-pent-1-en-3-ol
IUPAC Name: (E,3R)-2-methyl-1-phenylpent-1-en-3-ol
SYSTEMATIC NAME: (E,3R)-2-methyl-1-phenyl-pent-1-en-3-ol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC[C@H](/C(=C/C1=CC=CC=C1)/C)O
Structure:
CAS RN: 99566-42-4
CAS Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)-3-pent-1-en-4-ynol
OPENEYE Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
IUPAC Name: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
SYSTEMATIC NAME: (E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H](C#C)O
Structure:
CAS RN: 99566-41-3
CAS Name: (E,3S)-2-methyl-1-(3-phenoxyphenyl)-3-pent-1-en-4-ynol
OPENEYE Name: (E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
IUPAC Name: (E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
SYSTEMATIC NAME: (E,3S)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-ol
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](C#C)O
Structure:
CAS RN: 99566-40-2
CAS Name: acetic acid [(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ester
OPENEYE Name: [(E)-1-ethynyl-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [(E)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/C(C#C)OC(=O)C
Structure:
CAS RN: 99566-39-9
CAS Name: (E,3S)-2-methyl-1-phenyl-3-pent-1-en-4-ynol
OPENEYE Name: (E,3S)-2-methyl-1-phenyl-pent-1-en-4-yn-3-ol
IUPAC Name: (E,3S)-2-methyl-1-phenylpent-1-en-4-yn-3-ol
SYSTEMATIC NAME: (E,3S)-2-methyl-1-phenyl-pent-1-en-4-yn-3-ol
MOLECULAR FORMULA: C12H12O
MOLECULAR WEIGHT: 172.22308
SMILES: C/C(=C\C1=CC=CC=C1)/[C@H](C#C)O
Structure:
CAS RN: 99566-38-8
CAS Name: (E,3R)-2-methyl-1-phenyl-3-pent-1-en-4-ynol
OPENEYE Name: (E,3R)-2-methyl-1-phenyl-pent-1-en-4-yn-3-ol
IUPAC Name: (E,3R)-2-methyl-1-phenylpent-1-en-4-yn-3-ol
SYSTEMATIC NAME: (E,3R)-2-methyl-1-phenyl-pent-1-en-4-yn-3-ol
MOLECULAR FORMULA: C12H12O
MOLECULAR WEIGHT: 172.22308
SMILES: C/C(=C\C1=CC=CC=C1)/[C@@H](C#C)O
Structure:
CAS RN: 99566-37-7
CAS Name: acetic acid [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] ester
OPENEYE Name: [(E)-1-ethynyl-2-methyl-3-phenyl-allyl] acetate
IUPAC Name: [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [(E)-2-methyl-1-phenyl-pent-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: C/C(=C\C1=CC=CC=C1)/C(C#C)OC(=O)C
Structure:
CAS RN: 99499-16-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H32O9
MOLECULAR WEIGHT: 500.53758
SMILES: CC1=C[C@@H]2C3(CC1)COC(=O)[C@@H]4[C@@]5(O4)CCO/C(=C\C/C=C\C(=O)O[C@H]6C3([C@]7(CO7)[C@H](C6)O2)C)/C5O
Structure:
CAS RN: 99497-03-7
CAS Name: (E)-2-butenedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
MOLECULAR FORMULA: C26H28ClN5O6
MOLECULAR WEIGHT: 541.98342
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 99473-15-1
CAS Name: (E)-2,2-dimethyl-7-(1-naphthalenylmethylamino)hept-5-en-3-ynoic acid
OPENEYE Name: (E)-2,2-dimethyl-7-(1-naphthylmethylamino)hept-5-en-3-ynoic acid
IUPAC Name: (E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
SYSTEMATIC NAME: (E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
MOLECULAR FORMULA: C20H21NO2
MOLECULAR WEIGHT: 307.38624
SMILES: CC(C)(C#C/C=C/CNCC1=CC=CC2=CC=CC=C21)C(=O)O
Structure:
CAS RN: 99473-14-0
CAS Name: (E)-2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]hept-5-en-3-ynoic acid
OPENEYE Name: (E)-2,2-dimethyl-7-[methyl(1-naphthylmethyl)amino]hept-5-en-3-ynoic acid
IUPAC Name: (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
SYSTEMATIC NAME: (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC(C)(C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O
Structure:
CAS RN: 99450-97-2
CAS Name: (E)-6,6-dimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine
OPENEYE Name: (E)-6,6-dimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine
IUPAC Name: (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
SYSTEMATIC NAME: (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
MOLECULAR FORMULA: C20H23N
MOLECULAR WEIGHT: 277.40332
SMILES: CC(C)(C)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 99473-11-7
CAS Name: (E)-6,6-dimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine
OPENEYE Name: (E)-6,6-dimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine
IUPAC Name: (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
SYSTEMATIC NAME: (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
MOLECULAR FORMULA: C20H23N
MOLECULAR WEIGHT: 277.40332
SMILES: CC(C)(C)C#C/C=C/CNCC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 99399-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H44O14
MOLECULAR WEIGHT: 676.70476
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@H]3[C@@H]2C14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C)OC(=O)C
Structure:
CAS RN: 99393-41-6
CAS Name: acetic acid [(Z)-dodec-9-en-7-ynyl] ester
OPENEYE Name: [(Z)-dodec-9-en-7-ynyl] acetate
IUPAC Name: [(Z)-dodec-9-en-7-ynyl] acetate
SYSTEMATIC NAME: [(Z)-dodec-9-en-7-ynyl] ethanoate
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CC/C=C\C#CCCCCCCOC(=O)C
Structure:
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