CAS RN: 130940-64-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H31NO8
MOLECULAR WEIGHT: 449.49414
SMILES: CN1CCC23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 116064-72-3
CAS Name: 7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
OPENEYE Name: 7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
IUPAC Name: 7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
SYSTEMATIC NAME: 7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
MOLECULAR FORMULA: C28H24N4O2
MOLECULAR WEIGHT: 448.51576
SMILES: COC1=CN=C(C2=C1C3=CC=CC=C3N2)C4CCCC5=C6C(=C7C=CC=CC7=N6)C(=CN45)OC
Structure:
CAS RN: 99902-11-1
CAS Name: (3R,4R)-3,4-di(propan-2-yl)hexane-2,5-dione
OPENEYE Name: (3R,4R)-3,4-diisopropylhexane-2,5-dione
IUPAC Name: (3R,4R)-3,4-di(propan-2-yl)hexane-2,5-dione
SYSTEMATIC NAME: (3R,4R)-3,4-di(propan-2-yl)hexane-2,5-dione
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(C)[C@H]([C@@H](C(C)C)C(=O)C)C(=O)C
Structure:
CAS RN: 59257-02-2
CAS Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxypyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxy-pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxypyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-(1-phenylazanylethylidene)pyran-2,4-dione
MOLECULAR FORMULA: C15H13NO5
MOLECULAR WEIGHT: 287.26742
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NC2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 59256-96-1
CAS Name: (3Z)-5-acetyl-3-[1-(4-chloroanilino)ethylidene]-6-hydroxypyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-3-[1-(4-chloroanilino)ethylidene]-6-hydroxy-pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-3-[1-(4-chloroanilino)ethylidene]-6-hydroxypyran-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[1-[(4-chlorophenyl)amino]ethylidene]-5-ethanoyl-6-oxidanyl-pyran-2,4-dione
MOLECULAR FORMULA: C15H12ClNO5
MOLECULAR WEIGHT: 321.71248
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NC2=CC=C(C=C2)Cl)/C1=O)O
Structure:
CAS RN: 59086-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20O7
MOLECULAR WEIGHT: 408.4007
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)COC5=CC(=C(C=C54)OC)OC)C
Structure:
CAS RN: 58822-12-1
CAS Name: (1-methyl-4-pyridinylidene)methyl-oxoammonium chloride
OPENEYE Name: (1-methyl-4-pyridylidene)methyl-oxo-ammonium chloride
IUPAC Name: (1-methylpyridin-4-ylidene)methyl-oxoazanium chloride
SYSTEMATIC NAME: (1-methylpyridin-4-ylidene)methyl-oxidanylidene-azanium chloride
MOLECULAR FORMULA: C7H9ClN2O
MOLECULAR WEIGHT: 172.61216
SMILES: CN1C=CC(=C[NH+]=O)C=C1.[Cl-]
Structure:
CAS RN: 100699-44-3
CAS Name: 2-[[(2S)-1-[carboxymethyl-[(2S)-5-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
OPENEYE Name: 2-[[(1S)-2-[carboxymethyl-[(2S)-5-hydroxyindan-2-yl]amino]-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoic acid
IUPAC Name: 2-[[(2S)-1-[carboxymethyl-[(2S)-5-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
SYSTEMATIC NAME: 2-[[(2S)-1-[2-hydroxy-2-oxoethyl-[(2S)-5-oxidanyl-2,3-dihydro-1H-inden-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid
MOLECULAR FORMULA: C24H28N2O6
MOLECULAR WEIGHT: 440.48892
SMILES: C[C@@H](C(=O)N(CC(=O)O)[C@H]1CC2=C(C1)C=C(C=C2)O)NC(CCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 99224-12-1
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
SYSTEMATIC NAME: 3,8-bis[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O17
MOLECULAR WEIGHT: 626.5169
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 95855-89-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1CNC2=C3C1=C4C=CC(=O)C=C4N3C=CC2=O
Structure:
CAS RN: 57421-10-0
CAS Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]acetamide
IUPAC Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H8F3N3O3
MOLECULAR WEIGHT: 263.17333
SMILES: CC(=O)NC1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])N
Structure:
CAS RN: 55464-54-5
CAS Name: 5-methyl-3,4-dihydro-2H-benzo[f]quinoxalin-6-one
OPENEYE Name: 5-methyl-3,4-dihydro-2H-benzo[f]quinoxalin-6-one
IUPAC Name: 5-methyl-3,4-dihydro-2H-benzo[f]quinoxalin-6-one
SYSTEMATIC NAME: 5-methyl-3,4-dihydro-2H-benzo[f]quinoxalin-6-one
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC1=C2C(=NCCN2)C3=CC=CC=C3C1=O
Structure:
CAS RN: 55386-56-6
CAS Name: 1,7-dihydroxy-3,5,6-trimethoxy-9-xanthenone
OPENEYE Name: 1,7-dihydroxy-3,5,6-trimethoxy-xanthen-9-one
IUPAC Name: 1,7-dihydroxy-3,5,6-trimethoxyxanthen-9-one
SYSTEMATIC NAME: 3,5,6-trimethoxy-1,7-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C16H14O7
MOLECULAR WEIGHT: 318.27816
SMILES: COC1=CC(=C2C(=C1)OC3=C(C(=C(C=C3C2=O)O)OC)OC)O
Structure:
CAS RN: 127786-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H26NO6-
MOLECULAR WEIGHT: 448.48774
SMILES: CC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.C1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 127786-13-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28NO6-
MOLECULAR WEIGHT: 462.51432
SMILES: CCC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.C1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 126693-93-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H54Cl2O6
MOLECULAR WEIGHT: 653.71636
SMILES: CCCC[C@H]1CCC[C@H](C[C@H](C2=CC(=C([C@H](CCC[C@H](C[C@H](C3=CC(=C1C(=C3)O)O)OC)Cl)CCCC)C(=C2)O)O)OC)Cl
Structure:
CAS RN: 126129-92-8
CAS Name: (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid [(2R)-1-oxo-1-prop-2-ynoxypropan-2-yl] ester; 2-[(5-chloro-8-quinolinyl)oxy]acetic acid heptan-2-yl ester
OPENEYE Name: 1-methylhexyl 2-[(5-chloro-8-quinolyl)oxy]acetate; [(1R)-1-methyl-2-oxo-2-prop-2-ynoxy-ethyl] (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridyl)oxy]phenoxy]propanoate
IUPAC Name: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate; [(2R)-1-oxo-1-prop-2-ynoxypropan-2-yl] (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate
SYSTEMATIC NAME: heptan-2-yl 2-(5-chloranylquinolin-8-yl)oxyethanoate; [(2R)-1-oxidanylidene-1-prop-2-ynoxy-propan-2-yl] (2R)-2-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenoxy]propanoate
MOLECULAR FORMULA: C38H39Cl2FN2O9
MOLECULAR WEIGHT: 757.628663
SMILES: CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2.C[C@H](C(=O)O[C@H](C)C(=O)OCC#C)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl
Structure:
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