CAS RN: 2316-26-9
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)OC
Structure:
CAS RN: 14737-89-4
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)OC
Structure:
CAS RN: 68876-96-0
CAS Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid
OPENEYE Name: 2-(4-acetyl-2-methoxy-phenoxy)acetic acid
IUPAC Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoic acid
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: CC(=O)C1=CC(=C(C=C1)OCC(=O)O)OC
Structure:
CAS RN: 57954-84-4
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-2-propenamide
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)prop-2-enamide
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C17H16FNO3
MOLECULAR WEIGHT: 301.312243
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2F)OC
Structure:
CAS RN: 5129-95-3
CAS Name: (4R,5R)-N4,N4,N5,N5,2,2-hexamethyl-1,3-dioxolane-4,5-dicarboxamide
OPENEYE Name: (4R,5R)-N4,N4,N5,N5,2,2-hexamethyl-1,3-dioxolane-4,5-dicarboxamide
IUPAC Name: (4R,5R)-4-N,4-N,5-N,5-N,2,2-hexamethyl-1,3-dioxolane-4,5-dicarboxamide
SYSTEMATIC NAME: (4R,5R)-N4,N4,N5,N5,2,2-hexamethyl-1,3-dioxolane-4,5-dicarboxamide
MOLECULAR FORMULA: C11H20N2O4
MOLECULAR WEIGHT: 244.2875
SMILES: CC1(O[C@H]([C@@H](O1)C(=O)N(C)C)C(=O)N(C)C)C
Structure:
CAS RN: 59767-12-3
CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-3-methyl-1-butanone
OPENEYE Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-3-methyl-butan-1-one
IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
SYSTEMATIC NAME: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC(C)CC(=O)N1CCN(CC1)CC2=CC=CO2
Structure:
CAS RN: 72776-05-7
CAS Name: (2S)-4-oxo-2-azetidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-4-oxoazetidine-2-carboxylate
IUPAC Name: benzyl (2S)-4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S)-4-oxidanylideneazetidine-2-carboxylate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1[C@H](NC1=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 60384-53-4
CAS Name: 1-[(2-fluorophenyl)methyl]-4-methylsulfonylpiperazine
OPENEYE Name: 1-[(2-fluorophenyl)methyl]-4-methylsulfonyl-piperazine
IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-methylsulfonylpiperazine
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-4-methylsulfonyl-piperazine
MOLECULAR FORMULA: C12H17FN2O2S
MOLECULAR WEIGHT: 272.338983
SMILES: CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2F
Structure:
CAS RN: 5771-00-6
CAS Name: N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
OPENEYE Name: N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
IUPAC Name: N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
SYSTEMATIC NAME: N-(4-ethanoylphenyl)-2-(2-nitrophenoxy)ethanamide
MOLECULAR FORMULA: C16H14N2O5
MOLECULAR WEIGHT: 314.29276
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 59843-58-2
CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-phenylethanone
OPENEYE Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-ethanone
IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-phenylethanone
SYSTEMATIC NAME: 1-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-ethanone
MOLECULAR FORMULA: C13H18N2O3S
MOLECULAR WEIGHT: 282.35862
SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)CC2=CC=CC=C2
Structure:
CAS RN: 60129-67-1
CAS Name: (3-fluorophenyl)-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone
OPENEYE Name: (3-fluorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
IUPAC Name: (3-fluorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: (3-fluorophenyl)-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C16H15FN2O2S
MOLECULAR WEIGHT: 318.365903
SMILES: C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC=CS3
Structure:
CAS RN: 60075-04-9
CAS Name: [4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-(3-fluorophenyl)methanone
OPENEYE Name: [4-(3-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
IUPAC Name: [4-(3-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SYSTEMATIC NAME: [4-(3-chlorophenyl)carbonylpiperazin-1-yl]-(3-fluorophenyl)methanone
MOLECULAR FORMULA: C18H16ClFN2O2
MOLECULAR WEIGHT: 346.783243
SMILES: C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 350989-61-6
CAS Name: 2-amino-4-(3-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-4-(3-chlorophenyl)-5-methyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-4-(3-chlorophenyl)-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4-(3-chlorophenyl)-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H12ClNO2S
MOLECULAR WEIGHT: 281.75788
SMILES: CC1=C(C(=C(S1)N)C(=O)OC)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 74257-00-4
CAS Name: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
OPENEYE Name: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
IUPAC Name: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
SYSTEMATIC NAME: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
MOLECULAR FORMULA: C11H12N4O4S
MOLECULAR WEIGHT: 296.30238
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C
Structure:
CAS RN: 24570-44-3
CAS Name: (2R)-2-hydroxy-2-phenylacetohydrazide
OPENEYE Name: (2R)-2-hydroxy-2-phenyl-acetohydrazide
IUPAC Name: (2R)-2-hydroxy-2-phenylacetohydrazide
SYSTEMATIC NAME: (2R)-2-oxidanyl-2-phenyl-ethanehydrazide
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1=CC=C(C=C1)[C@H](C(=O)NN)O
Structure:
CAS RN: 24570-12-5
CAS Name: (2S)-2-hydroxy-2-phenylacetohydrazide
OPENEYE Name: (2S)-2-hydroxy-2-phenyl-acetohydrazide
IUPAC Name: (2S)-2-hydroxy-2-phenylacetohydrazide
SYSTEMATIC NAME: (2S)-2-oxidanyl-2-phenyl-ethanehydrazide
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1=CC=C(C=C1)[C@@H](C(=O)NN)O
Structure:
CAS RN: 23449-16-3
CAS Name: 6-(phenylmethylthio)-5-sulfanylidene-2H-1,2,4-triazin-3-one
OPENEYE Name: 6-benzylsulfanyl-5-thioxo-2H-1,2,4-triazin-3-one
IUPAC Name: 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
SYSTEMATIC NAME: 6-(phenylmethylsulfanyl)-5-sulfanylidene-2H-1,2,4-triazin-3-one
MOLECULAR FORMULA: C10H9N3OS2
MOLECULAR WEIGHT: 251.32796
SMILES: C1=CC=C(C=C1)CSC2=NNC(=O)NC2=S
Structure:
CAS RN: 60550-73-4
CAS Name: 1-[(5,5-dimethyl-2,4-dioxo-1-imidazolidinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
OPENEYE Name: 1-[(5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl)methyl]-5,5-dimethyl-imidazolidine-2,4-dione
IUPAC Name: 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[[5,5-dimethyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-5,5-dimethyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H16N4O4
MOLECULAR WEIGHT: 268.26914
SMILES: CC1(C(=O)NC(=O)N1CN2C(=O)NC(=O)C2(C)C)C
Structure:
CAS RN: 42838-37-9
CAS Name: 4-(4-fluorophenyl)-3H-thiazole-2-thione
OPENEYE Name: 4-(4-fluorophenyl)-3H-thiazole-2-thione
IUPAC Name: 4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
SYSTEMATIC NAME: 4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
MOLECULAR FORMULA: C9H6FNS2
MOLECULAR WEIGHT: 211.279043
SMILES: C1=CC(=CC=C1C2=CSC(=S)N2)F
Structure:
CAS RN: 7501-86-2
CAS Name: 5-(phenoxymethyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(phenoxymethyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(phenoxymethyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(phenoxymethyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: C1=CC=C(C=C1)OCC2=NNC(=S)O2
Structure:
CAS RN: 93265-91-9
CAS Name: (Z)-3-(2-chlorophenyl)-2-(4-chlorophenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(2-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(2-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(2-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C15H9Cl2N
MOLECULAR WEIGHT: 274.14466
SMILES: C1=CC=C(C(=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 7709-10-6
CAS Name: (Z)-3-(2-chlorophenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-(2-chlorophenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(2-chlorophenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2Cl)/C#N
Structure:
CAS RN: 7599-04-4
CAS Name: (Z)-3-(2-chlorophenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-(2-chlorophenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(2-chlorophenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2Cl)/C#N
Structure:
CAS RN: 3411-49-2
CAS Name: (2R)-2-amino-2-phenylbutanoic acid
OPENEYE Name: (2R)-2-amino-2-phenyl-butanoic acid
IUPAC Name: (2R)-2-amino-2-phenylbutanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-2-phenyl-butanoic acid
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CC[C@@](C1=CC=CC=C1)(C(=O)O)N
Structure:
CAS RN: 122839-51-4
CAS Name: (2R)-2-amino-3-(2-fluorophenyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2-fluorophenyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(2-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC=C(C(=C1)C[C@H](C(=O)O)N)F
Structure:
CAS RN: 19883-78-4
CAS Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(2-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)F
Structure:
CAS RN: 19883-77-3
CAS Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(3-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC(=C1)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 456-88-2
CAS Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(3-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC(=C1)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 266360-63-8
CAS Name: (2R)-2-amino-3-(3,5-difluorophenyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(3,5-difluorophenyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(3,5-difluorophenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[3,5-bis(fluoranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H9F2NO2
MOLECULAR WEIGHT: 201.170066
SMILES: C1=C(C=C(C=C1F)F)C[C@H](C(=O)O)N
Structure:
CAS RN: 32133-37-2
CAS Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,5-bis(fluoranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H9F2NO2
MOLECULAR WEIGHT: 201.170066
SMILES: C1=C(C=C(C=C1F)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 31105-91-6
CAS Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,5-bis(fluoranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H9F2NO2
MOLECULAR WEIGHT: 201.170066
SMILES: C1=C(C=C(C=C1F)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 31105-90-5
CAS Name: (2S)-2-amino-3-(3,4-difluorophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3,4-difluorophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3,4-difluorophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,4-bis(fluoranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H9F2NO2
MOLECULAR WEIGHT: 201.170066
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)F)F
Structure:
CAS RN: 21278-86-4
CAS Name: 2-pyridin-4-yl-4-thiazolecarboxylic acid
OPENEYE Name: 2-(4-pyridyl)thiazole-4-carboxylic acid
IUPAC Name: 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C9H6N2O2S
MOLECULAR WEIGHT: 206.22114
SMILES: C1=CN=CC=C1C2=NC(=CS2)C(=O)O
Structure:
CAS RN: 2051-07-2
CAS Name: (1E,4E)-1,5-bis(4-methoxyphenyl)-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C19H18O3
MOLECULAR WEIGHT: 294.34442
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)OC
Structure:
No comments:
Post a Comment