CAS RN: 115044-41-2
CAS Name: 3,8-dimethyl-2-nitroso-6,9-dihydroimidazo[4,5-f]quinoxaline
OPENEYE Name: 3,8-dimethyl-2-nitroso-6,9-dihydroimidazo[4,5-f]quinoxaline
IUPAC Name: 3,8-dimethyl-2-nitroso-6,9-dihydroimidazo[4,5-f]quinoxaline
SYSTEMATIC NAME: 3,8-dimethyl-2-nitroso-6,9-dihydroimidazo[4,5-f]quinoxaline
MOLECULAR FORMULA: C11H11N5O
MOLECULAR WEIGHT: 229.23794
SMILES: CC1=CNC2=C(N1)C3=C(C=C2)N(C(=N3)N=O)C
Structure:
CAS RN: 83481-45-2
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-amino-1-oxoethyl)amino]-8-(diaminomethylideneamino)-2-(mercaptomethyl)-1,4-dioxooctyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-o
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-aminoacetyl)amino]-8-guanidino-4-oxo-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-aminoacetyl)amino]-8-(diaminomethylideneamino)-4-oxo-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]pr
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-(2-azanylethanoylamino)-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl
MOLECULAR FORMULA: C59H93N21O17S4
MOLECULAR WEIGHT: 1496.76022
SMILES: C[C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)[C@H](CS)NC(=O)C(CC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)CS
Structure:
CAS RN: 67025-94-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32Cl2N2O3
MOLECULAR WEIGHT: 467.42848
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1N(CCCl)CCCl)OC5=C(C=C4)O)O
Structure:
CAS RN: 1397-77-9
CAS Name: 2-[8-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-8-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid
OPENEYE Name: 2-[8-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
IUPAC Name: 2-[8-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
SYSTEMATIC NAME: 2-[8-[3-(2-hydroxy-2-oxoethyl)-1-methyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
MOLECULAR FORMULA: C32H26O14
MOLECULAR WEIGHT: 634.54044
SMILES: CC1C2=C(C3=C(C(=O)C=C(C3=O)C4=CC(=O)C5=C(C4=O)C(=C6C(OC(CC6=C5O)CC(=O)O)C)O)C(=C2CC(O1)CC(=O)O)O)O
Structure:
CAS RN: 117415-47-1
CAS Name: (2R)-2-[2-[(5R,6R,7S,9S,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-16,18-dihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
OPENEYE Name: (2R)-2-[2-[(1S,3S,10S,12R,13R)-13-acetamido-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid
IUPAC Name: (2R)-2-[2-[(5R,6R,7S,9S,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
SYSTEMATIC NAME: (2R)-2-[2-[(5R,6R,7S,9S,16S,18R,19R)-19-acetamido-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-16,18-bis(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
MOLECULAR FORMULA: C36H61NO15
MOLECULAR WEIGHT: 747.86724
SMILES: CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@@H](C[C@H]([C@@H](C)NC(=O)C)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
Structure:
CAS RN: 92751-45-6
CAS Name: 2,6-dimethyl-5-(1-oxopropyl)-N-[(1S)-1-phenylethyl]-3-pyridinecarboxamide
OPENEYE Name: 2,6-dimethyl-N-[(1S)-1-phenylethyl]-5-propanoyl-pyridine-3-carboxamide
IUPAC Name: 2,6-dimethyl-N-[(1S)-1-phenylethyl]-5-propanoylpyridine-3-carboxamide
SYSTEMATIC NAME: 2,6-dimethyl-N-[(1S)-1-phenylethyl]-5-propanoyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CCC(=O)C1=CC(=C(N=C1C)C)C(=O)N[C@@H](C)C2=CC=CC=C2
Structure:
CAS RN: 30461-65-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H10O6
MOLECULAR WEIGHT: 310.2577
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)O
Structure:
CAS RN: 73232-50-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24NO4+
MOLECULAR WEIGHT: 342.40886
SMILES: C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C
Structure:
CAS RN: 85765-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24NO4+
MOLECULAR WEIGHT: 342.40886
SMILES: C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C
Structure:
CAS RN: 479-00-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23N3O2
MOLECULAR WEIGHT: 325.40482
SMILES: C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
Structure:
CAS RN: 126861-72-1
CAS Name: 4-(2-amino-1-methyl-4H-imidazo[4,5-b]pyridin-5-ylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(2-amino-1-methyl-4H-imidazo[4,5-b]pyridin-5-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(2-amino-1-methyl-4H-imidazo[4,5-b]pyridin-5-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(2-azanyl-1-methyl-4H-imidazo[4,5-b]pyridin-5-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H12N4O
MOLECULAR WEIGHT: 240.26058
SMILES: CN1C2=C(NC(=C3C=CC(=O)C=C3)C=C2)N=C1N
Structure:
CAS RN: 117415-48-2
CAS Name: (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-11,16,18-trihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
OPENEYE Name: (2R)-2-[2-[(1S,3S,5R,10S,12R,13R)-13-acetamido-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-5,10,12-trihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid
IUPAC Name: (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
SYSTEMATIC NAME: (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
MOLECULAR FORMULA: C36H61NO16
MOLECULAR WEIGHT: 763.86664
SMILES: CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@@H](C[C@H]([C@@H](C)NC(=O)C)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
Structure:
CAS RN: 6795-16-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14O6
MOLECULAR WEIGHT: 326.30016
SMILES: COC1=C2C(=C3C4CCOC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
Structure:
CAS RN: 3681-99-0
CAS Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 8-[(3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O9
MOLECULAR WEIGHT: 416.3781
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Structure:
CAS RN: 13323-70-1
CAS Name: [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; (methylthio)-(4-nitrophenoxy)phosphinate
OPENEYE Name: [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; methylsulfanyl-(4-nitrophenoxy)phosphinate
IUPAC Name: [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; methylsulfanyl-(4-nitrophenoxy)phosphinate
SYSTEMATIC NAME: [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; methylsulfanyl-(4-nitrophenoxy)phosphinate
MOLECULAR FORMULA: C14H16N3O6PS
MOLECULAR WEIGHT: 385.332101
SMILES: CN\1C=CC=C/C1=C/[NH+]=O.CSP(=O)([O-])OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 13323-69-8
CAS Name: 2,2-dichloroethenyl methyl phosphate; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium
OPENEYE Name: 2,2-dichlorovinyl methyl phosphate; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium
IUPAC Name: 2,2-dichloroethenyl methyl phosphate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium
SYSTEMATIC NAME: 2,2-bis(chloranyl)ethenyl methyl phosphate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C10H13Cl2N2O5P
MOLECULAR WEIGHT: 343.100381
SMILES: CN\1C=CC=C/C1=C/[NH+]=O.COP(=O)([O-])OC=C(Cl)Cl
Structure:
CAS RN: 13075-38-2
CAS Name: (2S)-2-[[oxo-[(2S)-1-[1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-1-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]ethyl]-2-pyrrolidinyl]methyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[2-[2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C27H36N6O9
MOLECULAR WEIGHT: 588.60954
SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 12193-47-4
CAS Name: strontium (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: strontium (Z)-4-oxopent-2-en-2-olate
IUPAC Name: strontium (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: strontium (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14O4Sr
MOLECULAR WEIGHT: 285.83576
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Sr+2]
Structure:
CAS RN: 12084-29-6
CAS Name: barium(2+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: barium(2+); (Z)-4-oxopent-2-en-2-olate
IUPAC Name: barium(2+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: barium(2+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14BaO4
MOLECULAR WEIGHT: 335.54276
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ba+2]
Structure:
CAS RN: 13407-22-2
CAS Name: methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate; [(Z)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium
OPENEYE Name: methoxy-(2,2,2-trichloro-1-hydroxy-ethyl)phosphinate; [(Z)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium
IUPAC Name: methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium
SYSTEMATIC NAME: methoxy-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]phosphinate; [(Z)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C10H14Cl3N2O5P
MOLECULAR WEIGHT: 379.561321
SMILES: CN\1C=CC=C/C1=C/[NH+]=O.COP(=O)(C(C(Cl)(Cl)Cl)O)[O-]
Structure:
CAS RN: 63783-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28ClNO2
MOLECULAR WEIGHT: 373.91622
SMILES: C1CC[C@]23CCN([C@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CO5.Cl
Structure:
CAS RN: 63783-52-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30N2O
MOLECULAR WEIGHT: 362.5078
SMILES: C1CC[C@]23CCN([C@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=C(C=C5)N
Structure:
CAS RN: 63765-66-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32ClNO2
MOLECULAR WEIGHT: 413.98008
SMILES: COC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.Cl
Structure:
CAS RN: 63765-65-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCO.Cl
Structure:
CAS RN: 63765-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H26ClNO
MOLECULAR WEIGHT: 307.85814
SMILES: CC1=C2C[C@@H]3[C@@H]4CCCC[C@@]4(C2=CC(=C1)O)CCN3C.Cl
Structure:
CAS RN: 63743-76-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30BrNO
MOLECULAR WEIGHT: 380.3623
SMILES: CC(C)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.Br
Structure:
CAS RN: 63743-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H35NO8
MOLECULAR WEIGHT: 489.558
SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=CC(=C(C=C34)O)CC=C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 63743-72-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37NO7
MOLECULAR WEIGHT: 511.60658
SMILES: COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3CCC5=CC=CC=C5)C=C1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 63732-97-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37NO8
MOLECULAR WEIGHT: 527.60598
SMILES: COC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 63732-95-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32ClNO2
MOLECULAR WEIGHT: 413.98008
SMILES: COC1=CC=CC(=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.Cl
Structure:
CAS RN: 63732-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H30ClNO3
MOLECULAR WEIGHT: 427.9636
SMILES: COC1=CC=C(C=C1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.Cl
Structure:
CAS RN: 63732-93-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H29ClN2O5
MOLECULAR WEIGHT: 472.96116
SMILES: COC1=C(C=C(C=C1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O)[N+](=O)[O-].Cl
Structure:
CAS RN: 63732-92-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34ClNO2
MOLECULAR WEIGHT: 428.00666
SMILES: CC1=C(C=CC(=C1)OC)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.Cl
Structure:
CAS RN: 63732-90-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H32ClNO
MOLECULAR WEIGHT: 349.93788
SMILES: CC(C)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.Cl
Structure:
CAS RN: 63732-89-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30ClNO2
MOLECULAR WEIGHT: 399.9535
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=C(C=C5)O.Cl
Structure:
CAS RN: 63732-87-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30ClNO3
MOLECULAR WEIGHT: 367.9101
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOCCO.Cl
Structure:
CAS RN: 63732-85-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22BrNO
MOLECULAR WEIGHT: 324.25598
SMILES: C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O.Br
Structure:
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