CAS RN: 126863-75-0
CAS Name: 3-(2,3-dihydroxypropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 3-(2,3-dihydroxypropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 3-(2,3-dihydroxypropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[2,3-bis(oxidanyl)propyl]-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H18N2O7
MOLECULAR WEIGHT: 302.28052
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CC(CO)O)CO)O
Structure:
CAS RN: 126862-95-1
CAS Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-mercapto-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)S
Structure:
CAS RN: 126813-43-2
CAS Name: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide hydrochloride
OPENEYE Name: N-(2-aminoethyl)-N-methyl-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide hydrochloride
IUPAC Name: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide hydrochloride
SYSTEMATIC NAME: N-(2-azanylethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C12H19ClN4O6S
MOLECULAR WEIGHT: 382.82046
SMILES: CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(C)CCN)[N+](=O)[O-])[N+](=O)[O-].Cl
Structure:
CAS RN: 104682-67-9
CAS Name: 3-benzoyl-N-(1-phenylethyl)-4-thiazolidinecarboxamide
OPENEYE Name: 3-benzoyl-N-(1-phenylethyl)thiazolidine-4-carboxamide
IUPAC Name: 3-benzoyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: 3-(phenylcarbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC(C1=CC=CC=C1)NC(=O)C2CSCN2C(=O)C3=CC=CC=C3
Structure:
CAS RN: 126769-16-2
CAS Name: 3-benzoyl-N-(1-phenylethyl)-4-thiazolidinecarboxamide
OPENEYE Name: 3-benzoyl-N-(1-phenylethyl)thiazolidine-4-carboxamide
IUPAC Name: 3-benzoyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: 3-(phenylcarbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC(C1=CC=CC=C1)NC(=O)C2CSCN2C(=O)C3=CC=CC=C3
Structure:
CAS RN: 126769-01-5
CAS Name: 3-[2-furanyl(oxo)methyl]-2-quinolinecarboxaldehyde
OPENEYE Name: 3-(furan-2-carbonyl)quinoline-2-carbaldehyde
IUPAC Name: 3-(furan-2-carbonyl)quinoline-2-carbaldehyde
SYSTEMATIC NAME: 3-(furan-2-ylcarbonyl)quinoline-2-carbaldehyde
MOLECULAR FORMULA: C15H9NO3
MOLECULAR WEIGHT: 251.23686
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)C=O)C(=O)C3=CC=CO3
Structure:
CAS RN: 126723-16-8
CAS Name: 2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
OPENEYE Name: 2-amino-3-[4-[5-(2-amino-2-carboxy-ethyl)-3-[5-(2-amino-2-carboxy-ethyl)-2-hydroxy-phenyl]-2-hydroxy-phenoxy]phenyl]propanoic acid
IUPAC Name: 2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[4-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]-2-oxidanyl-phenoxy]phenyl]propanoic acid
MOLECULAR FORMULA: C27H29N3O9
MOLECULAR WEIGHT: 539.53386
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)OC2=C(C(=CC(=C2)CC(C(=O)O)N)C3=C(C=CC(=C3)CC(C(=O)O)N)O)O
Structure:
CAS RN: 126706-35-2
CAS Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]pyrrolidine-2,4,4-tricarboxylic acid
OPENEYE Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]pyrrolidine-2,4,4-tricarboxylic acid
IUPAC Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid
SYSTEMATIC NAME: 5-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid
MOLECULAR FORMULA: C14H16N2O8
MOLECULAR WEIGHT: 340.28544
SMILES: CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)(C(=O)O)C(=O)O)CO
Structure:
CAS RN: 126663-38-5
CAS Name: 2-(1-hydroxy-2,6-dioxo-3-piperidinyl)isoindole-1,3-dione
OPENEYE Name: 2-(1-hydroxy-2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
IUPAC Name: 2-(1-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-[1-oxidanyl-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H10N2O5
MOLECULAR WEIGHT: 274.2289
SMILES: C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)O
Structure:
CAS RN: 126663-37-4
CAS Name: (2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(2-chloranyl-1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C6H8ClN3O2
MOLECULAR WEIGHT: 189.59962
SMILES: C1=C(NC(=N1)Cl)C[C@@H](C(=O)O)N
Structure:
CAS RN: 126660-48-8
CAS Name: 2-[[1-(2-ethoxyethyl)-2-benzimidazolyl]thio]-N,N-dimethylethanamine
OPENEYE Name: 2-[1-(2-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethyl-ethanamine
IUPAC Name: 2-[1-(2-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[1-(2-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C15H23N3OS
MOLECULAR WEIGHT: 293.42762
SMILES: CCOCCN1C2=CC=CC=C2N=C1SCCN(C)C
Structure:
CAS RN: 126642-86-2
CAS Name: 2-amino-N-[1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide
OPENEYE Name: 2-amino-N-[2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]-3-methyl-pentanamide
IUPAC Name: 2-amino-N-[1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide
SYSTEMATIC NAME: 2-azanyl-N-[1-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-pentanamide
MOLECULAR FORMULA: C22H35ClN4O3
MOLECULAR WEIGHT: 438.9913
SMILES: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)CCl)N
Structure:
CAS RN: 126631-86-5
CAS Name: (3S)-3-[[8-(diaminomethylideneamino)-1-oxooctyl]amino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-(8-guanidinooctanoylamino)-4-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[8-(diaminomethylideneamino)octanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[8-[bis(azanyl)methylideneamino]octanoylamino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C22H35N5O5
MOLECULAR WEIGHT: 449.5438
SMILES: COC1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCN=C(N)N
Structure:
CAS RN: 126622-46-6
CAS Name: 3-dodec-11-enylidene-5-(hydroxymethyl)-2-oxolanone
OPENEYE Name: 3-dodec-11-enylidene-5-(hydroxymethyl)tetrahydrofuran-2-one
IUPAC Name: 3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one
SYSTEMATIC NAME: 3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: C=CCCCCCCCCCC=C1CC(OC1=O)CO
Structure:
CAS RN: 126568-00-1
CAS Name: 5,8-dimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
OPENEYE Name: 5,8-dimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
IUPAC Name: 5,8-dimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
SYSTEMATIC NAME: 5,8-dimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: CN1CC(=O)N(C2=C(C1=O)C=NN2C3=CC=CC=C3)C
Structure:
CAS RN: 126567-68-8
CAS Name: 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
OPENEYE Name: 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
IUPAC Name: 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
SYSTEMATIC NAME: 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C3=CC=CC=C3
Structure:
CAS RN: 56832-67-8
CAS Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-2-oxanyl]-4-methoxy-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-
OPENEYE Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-4-methoxy-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-3,8-dim
IUPAC Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-
SYSTEMATIC NAME: (2S)-2-[(2R,3R,4S,5R,6S)-4-methoxy-6-[(1S)-1-[(3S,7S,8R,9S)-7-methoxy-3-[(2R,5S)-5-[(2R,3S,4R,5R)-4-methoxy-5-[(2S,3S,4S,5R,6S)-4-methoxy-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]de
MOLECULAR FORMULA: C44H76O14
MOLECULAR WEIGHT: 829.06584
SMILES: C[C@@H]1[C@H](CC2(CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H]([C@H]([C@@H](O4)[C@@H]5[C@H]([C@@H]([C@H]([C@@](O5)(C)O)C)OC)C)OC)C)O[C@@H]1[C@@H](C)[C@@H]6[C@@H]([C@@H]([C@H]([C@@](O6)([C@H](C)C(=O)O)O)C)OC)C)OC
Structure:
CAS RN: 58785-63-0
CAS Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-2-oxanyl]-4-methoxy-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-
OPENEYE Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-4-methoxy-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-3,8-dim
IUPAC Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-
SYSTEMATIC NAME: (2S)-2-[(2R,3R,4S,5R,6S)-4-methoxy-6-[(1S)-1-[(3S,7S,8R,9S)-7-methoxy-3-[(2R,5S)-5-[(2R,3S,4R,5R)-4-methoxy-5-[(2S,3S,4S,5R,6S)-4-methoxy-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]de
MOLECULAR FORMULA: C44H76O14
MOLECULAR WEIGHT: 829.06584
SMILES: C[C@@H]1[C@H](CC2(CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H]([C@H]([C@@H](O4)[C@@H]5[C@H]([C@@H]([C@H]([C@@](O5)(C)O)C)OC)C)OC)C)O[C@@H]1[C@@H](C)[C@@H]6[C@@H]([C@@H]([C@H]([C@@](O6)([C@H](C)C(=O)O)O)C)OC)C)OC
Structure:
CAS RN: 6044-64-0
CAS Name: 1,2-dihydroanthracene
OPENEYE Name: 1,2-dihydroanthracene
IUPAC Name: 1,2-dihydroanthracene
SYSTEMATIC NAME: 1,2-dihydroanthracene
MOLECULAR FORMULA: C14H12
MOLECULAR WEIGHT: 180.24508
SMILES: C1CC2=CC3=CC=CC=C3C=C2C=C1
Structure:
CAS RN: 60241-68-1
CAS Name: 3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl] ester
OPENEYE Name: [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate
IUPAC Name: [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(3R,4S,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl] 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C13H16O10
MOLECULAR WEIGHT: 332.26014
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
Structure:
CAS RN: 5992-90-5
CAS Name: (4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
OPENEYE Name: (4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
IUPAC Name: (4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
SYSTEMATIC NAME: (4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-ethanoyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3H-indeno[2,1-a]phenanthren-2-one
MOLECULAR FORMULA: C26H38O2
MOLECULAR WEIGHT: 382.57872
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2C[C@@H]4[C@]3(CCCC4)C(=O)C)C)[C@@]5(C1=CC(=O)CC5)C
Structure:
CAS RN: 58170-82-4
CAS Name: 3-[4-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-piperazinyl]-2-methyl-1-phenyl-1-propanone
OPENEYE Name: 3-[4-[(2S,3S)-3-hydroxytetralin-2-yl]piperazin-1-yl]-2-methyl-1-phenyl-propan-1-one
IUPAC Name: 3-[4-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
SYSTEMATIC NAME: 2-methyl-3-[4-[(2S,3S)-3-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-1-phenyl-propan-1-one
MOLECULAR FORMULA: C24H30N2O2
MOLECULAR WEIGHT: 378.5072
SMILES: CC(CN1CCN(CC1)[C@H]2CC3=CC=CC=C3C[C@@H]2O)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 59823-52-8
CAS Name: 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
OPENEYE Name: 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxy-propane
IUPAC Name: 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
SYSTEMATIC NAME: 1,1,1,3,3-pentakis(fluoranyl)-2-(fluoranylmethoxy)-3-methoxy-propane
MOLECULAR FORMULA: C5H6F6O2
MOLECULAR WEIGHT: 212.090359
SMILES: COC(C(C(F)(F)F)OCF)(F)F
Structure:
CAS RN: 58005-25-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N4O9
MOLECULAR WEIGHT: 808.95824
SMILES: CCC1(CN2CCC3=C(C1C(C2)C=C(C4=CC5=C(C=C4OC)N(C6C57CCN8C7C(C=CC8)(C(C6(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)NC9=CC=CC=C39)O
Structure:
CAS RN: 5948-43-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O6
MOLECULAR WEIGHT: 366.4486
SMILES: C[C@@]12CCCC([C@H]1CCC34[C@]2(C(=O)[C@@H]([C@@](C3)([C@](C4)(C=O)O)O)O)O)(C)C
Structure:
CAS RN: 57741-93-2
CAS Name: 5-hexyl-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-hexyl-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-hexyl-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-hexyl-1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C15H24N2O5
MOLECULAR WEIGHT: 312.36146
SMILES: CCCCCCC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 9036-70-8
CAS Name: (5aS,9S,9aS)-1-oxo-6-propan-2-yl-4-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9,2'-oxirane]carboxylic acid
OPENEYE Name: (5aS,9S,9aS)-6-isopropyl-1-oxo-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
IUPAC Name: (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
SYSTEMATIC NAME: (5aS,9S,9aS)-1-oxidanylidene-6-propan-2-yl-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC(C)C1CC[C@@]2(CO2)[C@@H]3[C@@H]1C=C(COC3=O)C(=O)O
Structure:
CAS RN: 57710-57-3
CAS Name: (5aS,9S,9aS)-1-oxo-6-propan-2-yl-4-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepin-9,2'-oxirane]carboxylic acid
OPENEYE Name: (5aS,9S,9aS)-6-isopropyl-1-oxo-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
IUPAC Name: (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
SYSTEMATIC NAME: (5aS,9S,9aS)-1-oxidanylidene-6-propan-2-yl-spiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC(C)C1CC[C@@]2(CO2)[C@@H]3[C@@H]1C=C(COC3=O)C(=O)O
Structure:
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