CAS RN: 74093-49-5
CAS Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]propanedinitrile
OPENEYE Name: 2-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]propanedinitrile
IUPAC Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: CC1=CC(=CC(=C1O)C)C=C(C#N)C#N
Structure:
CAS RN: 72258-40-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC
Structure:
CAS RN: 72258-54-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC
Structure:
CAS RN: 72657-29-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC
Structure:
CAS RN: 72657-64-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC
Structure:
CAS RN: 83890-29-3
CAS Name: 3-cyclopentylpropanoic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethanoyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
MOLECULAR FORMULA: C32H46O5
MOLECULAR WEIGHT: 510.70464
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)CCC5CCCC5)C
Structure:
CAS RN: 72648-88-5
CAS Name: 3-cyclopentylpropanoic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethanoyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
MOLECULAR FORMULA: C32H46O5
MOLECULAR WEIGHT: 510.70464
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)CCC5CCCC5)C
Structure:
CAS RN: 72626-61-0
CAS Name: 7-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one
IUPAC Name: 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
SYSTEMATIC NAME: 7-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C22H28O13
MOLECULAR WEIGHT: 500.44992
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Structure:
CAS RN: 95588-08-2
CAS Name: 5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
OPENEYE Name: 5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one
IUPAC Name: 5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
SYSTEMATIC NAME: 2-methyl-5-[[[(1S,2S,3S)-2-oxidanyl-3-phenoxy-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
MOLECULAR FORMULA: C21H25NO3S
MOLECULAR WEIGHT: 371.4931
SMILES: CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@@H]([C@H]3O)OC4=CC=CC=C4
Structure:
CAS RN: 86939-10-8
CAS Name: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
OPENEYE Name: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-indan-1-amine
IUPAC Name: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: (1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C16H15Cl2N
MOLECULAR WEIGHT: 292.203
SMILES: CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5334-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26IN3O
MOLECULAR WEIGHT: 463.35511
SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(N(C4=CC=CC(=C34)C2=C1)C)I)C
Structure:
CAS RN: 97151-23-0
CAS Name: 2-amino-9-[(1,3-dihydroxypropan-2-ylthio)methyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethyl]sulfanylmethyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-ylsulfanylmethyl)-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-ylsulfanylmethyl]-3H-purin-6-one
MOLECULAR FORMULA: C9H13N5O3S
MOLECULAR WEIGHT: 271.29622
SMILES: C1=NC2=C(N1CSC(CO)CO)NC(=NC2=O)N
Structure:
CAS RN: 138109-87-2
CAS Name: 4-[1-(4-hydroxyphenyl)-2-iodanyl-2-phenylethenyl]phenol
OPENEYE Name: 4-[1-(4-hydroxyphenyl)-2-iodanyl-2-phenyl-vinyl]phenol
IUPAC Name: 4-[1-(4-hydroxyphenyl)-2-iodanyl-2-phenylethenyl]phenol
SYSTEMATIC NAME: 4-[1-(4-hydroxyphenyl)-2-iodanyl-2-phenyl-ethenyl]phenol
MOLECULAR FORMULA: C20H15IO2
MOLECULAR WEIGHT: 412.236524
SMILES: C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[125I]
Structure:
CAS RN: 137767-82-9
CAS Name: 1-(2-hydroxypropyl)-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
OPENEYE Name: 1-(2-hydroxypropyl)-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
IUPAC Name: 1-(2-hydroxypropyl)-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
SYSTEMATIC NAME: 3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-1-(2-oxidanylpropyl)-9H-carbazol-4-ol
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=C1OC)O)CC(C)O
Structure:
CAS RN: 137767-81-8
CAS Name: 1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
OPENEYE Name: 1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
IUPAC Name: 1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
SYSTEMATIC NAME: 1-[3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-4-oxidanyl-9H-carbazol-1-yl]propane-1,2-diol
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=C1OC)O)C(C(C)O)O
Structure:
CAS RN: 137767-50-1
CAS Name: (3S,5R,7R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
OPENEYE Name: (3S,5R,7R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
IUPAC Name: (3S,5R,7R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
SYSTEMATIC NAME: (3S,5R,7R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1R)-1-oxidanylethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,7,17-triol
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O
Structure:
CAS RN: 137730-92-8
CAS Name: (2S,3S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-3-methylpentanoic acid
OPENEYE Name: (2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methyl-pentanoic acid
IUPAC Name: (2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: (2S,3S)-2-[[(2S)-2-(2-azanylethanoylamino)propanoyl]amino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C11H21N3O4
MOLECULAR WEIGHT: 259.30214
SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)CN
Structure:
CAS RN: 137730-58-6
CAS Name: 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]
OPENEYE Name: 1'-(3-methylbut-2-enyl)spiro[indane-1,4'-piperidine]
IUPAC Name: 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SYSTEMATIC NAME: 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]
MOLECULAR FORMULA: C18H25N
MOLECULAR WEIGHT: 255.3978
SMILES: CC(=CCN1CCC2(CCC3=CC=CC=C32)CC1)C
Structure:
CAS RN: 137668-39-4
CAS Name: 1-(2-chloroethylazo)-3-methyl-1-(phenylmethyl)urea
OPENEYE Name: 1-benzyl-1-(2-chloroethylazo)-3-methyl-urea
IUPAC Name: 1-benzyl-1-(2-chloroethyldiazenyl)-3-methylurea
SYSTEMATIC NAME: 1-(2-chloroethyldiazenyl)-3-methyl-1-(phenylmethyl)urea
MOLECULAR FORMULA: C11H15ClN4O
MOLECULAR WEIGHT: 254.716
SMILES: CNC(=O)N(CC1=CC=CC=C1)N=NCCCl
Structure:
CAS RN: 137608-89-0
CAS Name: (4R)-2-amino-4-hydroxy-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-purine-6,8-dione
OPENEYE Name: (4R)-2-amino-4-hydroxy-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purine-6,8-dione
IUPAC Name: (4R)-2-amino-4-hydroxy-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-6,8-dione
SYSTEMATIC NAME: (4R)-2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-oxidanyl-1H-purine-6,8-dione
MOLECULAR FORMULA: C10H13N5O6
MOLECULAR WEIGHT: 299.24012
SMILES: C1[C@@H]([C@H](OC1N2C(=O)N=C3[C@]2(N=C(NC3=O)N)O)CO)O
Structure:
CAS RN: 137593-43-2
CAS Name: (2S)-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-2-(2,5-dioxo-1-pyrrolyl)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-(2,5-dioxopyrrol-1-yl)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(2,5-dioxopyrrol-1-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C14H17N3O8S
MOLECULAR WEIGHT: 387.36508
SMILES: C1=CC(=O)N(C1=O)[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
Structure:
CAS RN: 137548-54-0
CAS Name: 2-amino-4-oxo-4-(3-pyridinyl)butanoic acid
OPENEYE Name: 2-amino-4-oxo-4-(3-pyridyl)butanoic acid
IUPAC Name: 2-amino-4-oxo-4-pyridin-3-ylbutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-oxidanylidene-4-pyridin-3-yl-butanoic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1=CC(=CN=C1)C(=O)CC(C(=O)O)N
Structure:
CAS RN: 115883-22-2
CAS Name: 3-(4-aminophenyl)-3-cyclohexylpiperidine-2,6-dione
OPENEYE Name: 3-(4-aminophenyl)-3-cyclohexyl-piperidine-2,6-dione
IUPAC Name: 3-(4-aminophenyl)-3-cyclohexylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-(4-aminophenyl)-3-cyclohexyl-piperidine-2,6-dione
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C1CCC(CC1)C2(CCC(=O)NC2=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 137548-41-5
CAS Name: 3-(4-aminophenyl)-3-cyclohexylpiperidine-2,6-dione
OPENEYE Name: 3-(4-aminophenyl)-3-cyclohexyl-piperidine-2,6-dione
IUPAC Name: 3-(4-aminophenyl)-3-cyclohexylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-(4-aminophenyl)-3-cyclohexyl-piperidine-2,6-dione
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C1CCC(CC1)C2(CCC(=O)NC2=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 137371-97-2
CAS Name: 1-(2-methylsulfinylethylsulfonyl)-2-(methylthio)ethane
OPENEYE Name: 1-methylsulfanyl-2-(2-methylsulfinylethylsulfonyl)ethane
IUPAC Name: 1-methylsulfanyl-2-(2-methylsulfinylethylsulfonyl)ethane
SYSTEMATIC NAME: 1-methylsulfanyl-2-(2-methylsulfinylethylsulfonyl)ethane
MOLECULAR FORMULA: C6H14O3S3
MOLECULAR WEIGHT: 230.36856
SMILES: CSCCS(=O)(=O)CCS(=O)C
Structure:
CAS RN: 137371-96-1
CAS Name: 1-methylsulfinyl-2-(2-methylsulfinylethylsulfonyl)ethane
OPENEYE Name: 1-methylsulfinyl-2-(2-methylsulfinylethylsulfonyl)ethane
IUPAC Name: 1-methylsulfinyl-2-(2-methylsulfinylethylsulfonyl)ethane
SYSTEMATIC NAME: 1-methylsulfinyl-2-(2-methylsulfinylethylsulfonyl)ethane
MOLECULAR FORMULA: C6H14O4S3
MOLECULAR WEIGHT: 246.36796
SMILES: CS(=O)CCS(=O)(=O)CCS(=O)C
Structure:
CAS RN: 137252-25-6
CAS Name: 3-hydroxy-2-[(6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 3-hydroxy-2-[(6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-1,4-benzoquinone
IUPAC Name: 3-hydroxy-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-3-oxidanyl-5-pentyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CC[C@H]2C(=C)C)C
Structure:
CAS RN: 137232-06-5
CAS Name: 3-amino-2-(4-chloro-3-hydroxyphenyl)-1-propanesulfonic acid
OPENEYE Name: 3-amino-2-(4-chloro-3-hydroxy-phenyl)propane-1-sulfonic acid
IUPAC Name: 3-amino-2-(4-chloro-3-hydroxyphenyl)propane-1-sulfonic acid
SYSTEMATIC NAME: 3-azanyl-2-(4-chloranyl-3-oxidanyl-phenyl)propane-1-sulfonic acid
MOLECULAR FORMULA: C9H12ClNO4S
MOLECULAR WEIGHT: 265.71388
SMILES: C1=CC(=C(C=C1C(CN)CS(=O)(=O)O)O)Cl
Structure:
CAS RN: 137232-05-4
CAS Name: 4-[(3-amino-2-oxo-1-azetidinyl)methyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-[(3-amino-2-oxo-azetidin-1-yl)methyl]cyclohexanecarboxylic acid
IUPAC Name: 4-[(3-amino-2-oxoazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[(3-azanyl-2-oxidanylidene-azetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H18N2O3
MOLECULAR WEIGHT: 226.27222
SMILES: C1CC(CCC1CN2CC(C2=O)N)C(=O)O
Structure:
CAS RN: 137220-02-1
CAS Name: (1S,3S,4R,5R)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: ethyl (1S,3S,4R,5R)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 137197-08-1
CAS Name: 4,5-difluorobenzo[a]pyrene
OPENEYE Name: 4,5-difluorobenzo[a]pyrene
IUPAC Name: 4,5-difluorobenzo[a]pyrene
SYSTEMATIC NAME: 4,5-bis(fluoranyl)benzo[a]pyrene
MOLECULAR FORMULA: C20H10F2
MOLECULAR WEIGHT: 288.290206
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)F)F
Structure:
CAS RN: 137091-49-7
CAS Name: 5-(carbamoylthio)-2-nitrobenzoic acid
OPENEYE Name: 5-carbamoylsulfanyl-2-nitro-benzoic acid
IUPAC Name: 5-carbamoylsulfanyl-2-nitrobenzoic acid
SYSTEMATIC NAME: 5-aminocarbonylsulfanyl-2-nitro-benzoic acid
MOLECULAR FORMULA: C8H6N2O5S
MOLECULAR WEIGHT: 242.20864
SMILES: C1=CC(=C(C=C1SC(=O)N)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 136845-59-5
CAS Name: (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3R,4aS,6R,8aS)-6-(2H-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3R,4aS,6R,8aS)-6-(2H-1,2,3,4-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C12H19N5O2
MOLECULAR WEIGHT: 265.31156
SMILES: C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CC3=NNN=N3)C(=O)O
Structure:
CAS RN: 136947-30-3
CAS Name: 1-[2-(2-iodophenyl)ethyl]pyrrole-2,5-dione
OPENEYE Name: 1-[2-(2-iodophenyl)ethyl]pyrrole-2,5-dione
IUPAC Name: 1-[2-(2-iodophenyl)ethyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2-(2-iodanylphenyl)ethyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C12H10INO2
MOLECULAR WEIGHT: 327.11777
SMILES: C1=CC=C(C(=C1)CCN2C(=O)C=CC2=O)I
Structure:
CAS RN: 136945-81-8
CAS Name: 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-butanamine
OPENEYE Name: 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
IUPAC Name: 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
SYSTEMATIC NAME: 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
MOLECULAR FORMULA: C15H21N3
MOLECULAR WEIGHT: 243.34734
SMILES: C1CNC(C2=C1C3=CC=CC=C3N2)CCCCN
Structure:
CAS RN: 136778-39-7
CAS Name: (2R,3S,3aR,6aR)-3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
OPENEYE Name: (2R,3S,3aR,6aR)-3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
IUPAC Name: (2R,3S,3aR,6aR)-3-hydroxy-2-[hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SYSTEMATIC NAME: (2R,3S,3aR,6aR)-3-oxidanyl-2-[oxidanyl(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
MOLECULAR FORMULA: C13H14O5
MOLECULAR WEIGHT: 250.24726
SMILES: C1[C@@H]2[C@@H]([C@H]([C@H](O2)C(C3=CC=CC=C3)O)O)OC1=O
Structure:
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