CAS RN: 102449-59-2
CAS Name: 9H-xanthene-9-carboxylic acid 2-(1-methyl-2-pyrrolidinyl)ethyl ester
OPENEYE Name: 2-(1-methylpyrrolidin-2-yl)ethyl 9H-xanthene-9-carboxylate
IUPAC Name: 2-(1-methylpyrrolidin-2-yl)ethyl 9H-xanthene-9-carboxylate
SYSTEMATIC NAME: 2-(1-methylpyrrolidin-2-yl)ethyl 9H-xanthene-9-carboxylate
MOLECULAR FORMULA: C21H23NO3
MOLECULAR WEIGHT: 337.41222
SMILES: CN1CCCC1CCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
Structure:
CAS RN: 102585-07-9
CAS Name: 1-methyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid; sulfuric acid
OPENEYE Name: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
IUPAC Name: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
SYSTEMATIC NAME: 1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
MOLECULAR FORMULA: C19H21NO7S
MOLECULAR WEIGHT: 407.43754
SMILES: CC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.OS(=O)(=O)O
Structure:
CAS RN: 102585-02-4
CAS Name: 1-ethyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid; sulfuric acid
OPENEYE Name: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
IUPAC Name: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
SYSTEMATIC NAME: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid
MOLECULAR FORMULA: C20H23NO7S
MOLECULAR WEIGHT: 421.46412
SMILES: CCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.OS(=O)(=O)O
Structure:
CAS RN: 102585-00-2
CAS Name: 1-cyclohexyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid hydrochloride
OPENEYE Name: 1-cyclohexyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
IUPAC Name: 1-cyclohexyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-cyclohexyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
MOLECULAR FORMULA: C24H28ClNO3
MOLECULAR WEIGHT: 413.93702
SMILES: C1CCC(CC1)C2=CC(=CC3=C2C(C4=CC=CC=C4O3)C(=O)O)N5CCCC5.Cl
Structure:
CAS RN: 102584-99-6
CAS Name: 1-butyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid hydrochloride
OPENEYE Name: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
IUPAC Name: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: CCCCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.Cl
Structure:
CAS RN: 102584-98-5
CAS Name: 1-(phenylmethyl)-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid hydrochloride
OPENEYE Name: 1-benzyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
IUPAC Name: 1-benzyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-(phenylmethyl)-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid hydrochloride
MOLECULAR FORMULA: C25H24ClNO3
MOLECULAR WEIGHT: 421.91596
SMILES: C1CCN(C1)C2=CC3=C(C(C4=CC=CC=C4O3)C(=O)O)C(=C2)CC5=CC=CC=C5.Cl
Structure:
CAS RN: 103161-33-7
CAS Name: 2-(9H-xanthen-9-yl)acetic acid 2-(dicyclohexylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)acetate hydrochloride
IUPAC Name: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)acetate hydrochloride
SYSTEMATIC NAME: 2-(dicyclohexylamino)ethyl 2-(9H-xanthen-9-yl)ethanoate hydrochloride
MOLECULAR FORMULA: C29H38ClNO3
MOLECULAR WEIGHT: 484.06992
SMILES: C1CCC(CC1)N(CCOC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5.Cl
Structure:
CAS RN: 97529-41-4
CAS Name: 2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-methylbutanoic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]-3-methyl-butanoate
IUPAC Name: ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: ethyl 2-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-methyl-butanoate
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: CCOC(=O)C(C(C)C)NC(=O)C(=O)C1=CNC2=CC=CC=C21
Structure:
CAS RN: 94790-30-4
CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methyl-butanoate
IUPAC Name: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methyl-butanoate
MOLECULAR FORMULA: C9H16ClN3O4
MOLECULAR WEIGHT: 265.69404
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 102612-66-8
CAS Name: N-(2-chloro-6-methylphenyl)-5-(diethylamino)pentanamide hydrochloride
OPENEYE Name: N-(2-chloro-6-methyl-phenyl)-5-(diethylamino)pentanamide hydrochloride
IUPAC Name: N-(2-chloro-6-methylphenyl)-5-(diethylamino)pentanamide hydrochloride
SYSTEMATIC NAME: N-(2-chloranyl-6-methyl-phenyl)-5-(diethylamino)pentanamide hydrochloride
MOLECULAR FORMULA: C16H26Cl2N2O
MOLECULAR WEIGHT: 333.29644
SMILES: CCN(CC)CCCCC(=O)NC1=C(C=CC=C1Cl)C.Cl
Structure:
CAS RN: 95368-23-3
CAS Name: 3-methyl-2-phenylpentanoic acid [3-(dimethylamino)-2,2-dimethylpropyl] ester hydrochloride
OPENEYE Name: [3-(dimethylamino)-2,2-dimethyl-propyl] 3-methyl-2-phenyl-pentanoate hydrochloride
IUPAC Name: [3-(dimethylamino)-2,2-dimethylpropyl] 3-methyl-2-phenylpentanoate hydrochloride
SYSTEMATIC NAME: [3-(dimethylamino)-2,2-dimethyl-propyl] 3-methyl-2-phenyl-pentanoate hydrochloride
MOLECULAR FORMULA: C19H32ClNO2
MOLECULAR WEIGHT: 341.91588
SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)CN(C)C.Cl
Structure:
CAS RN: 102584-94-1
CAS Name: 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g][1]benzopyran-4-yl)oxy]pentanoic acid 2-(1-piperidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-(1-piperidyl)ethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]pentanoate hydrochloride
IUPAC Name: 2-piperidin-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]pentanoate hydrochloride
SYSTEMATIC NAME: 2-piperidin-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxidanylidene-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]pentanoate hydrochloride
MOLECULAR FORMULA: C25H38ClNO7
MOLECULAR WEIGHT: 500.02472
SMILES: CCCC(C(=O)OCCN1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC.Cl
Structure:
CAS RN: 90872-42-7
CAS Name: 4-hydroxy-N-[(E)-(5-nitro-2-furanyl)methylideneamino]pentanamide
OPENEYE Name: 4-hydroxy-N-[(E)-(5-nitro-2-furyl)methyleneamino]pentanamide
IUPAC Name: 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pentanamide
SYSTEMATIC NAME: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-oxidanyl-pentanamide
MOLECULAR FORMULA: C10H13N3O5
MOLECULAR WEIGHT: 255.22732
SMILES: CC(CCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])O
Structure:
CAS RN: 102612-63-5
CAS Name: 3-ethyl-3-hydroxy-2-phenylpentanoic acid (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl ester
OPENEYE Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenyl-pentanoate
IUPAC Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenylpentanoate
SYSTEMATIC NAME: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-oxidanyl-2-phenyl-pentanoate
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: CCC(CC)(C(C1=CC=CC=C1)C(=O)OCC2=CCN(CC2)C)O
Structure:
CAS RN: 102584-90-7
CAS Name: 4-amino-5-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: 4-amino-5-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: 4-amino-5-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(=O)C(CCC(=O)O)N
Structure:
CAS RN: 102584-89-4
CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]pentanoate
OPENEYE Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]pentanoate
IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]pentanoate
SYSTEMATIC NAME: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]pentanoate
MOLECULAR FORMULA: C15H17I3NNaO5
MOLECULAR WEIGHT: 695.00236
SMILES: CCCC(C(=O)[O-])OCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]
Structure:
CAS RN: 103766-68-3
CAS Name: acetic acid [(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phenylmethoxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-3-benzyloxy-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-3-phenylmethoxy-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C18H19FN2O7
MOLECULAR WEIGHT: 394.351063
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC=CC=C3
Structure:
CAS RN: 94214-82-1
CAS Name: (4-phenyl-1H-pyrazol-5-yl)urea
OPENEYE Name: (4-phenyl-1H-pyrazol-5-yl)urea
IUPAC Name: (4-phenyl-1H-pyrazol-5-yl)urea
SYSTEMATIC NAME: 1-(4-phenyl-1H-pyrazol-5-yl)urea
MOLECULAR FORMULA: C10H10N4O
MOLECULAR WEIGHT: 202.2126
SMILES: C1=CC=C(C=C1)C2=C(NN=C2)NC(=O)N
Structure:
CAS RN: 102613-35-4
CAS Name: (2E)-N-carbamoyl-2-ethylidenepentanamide
OPENEYE Name: (2E)-N-carbamoyl-2-ethylidene-pentanamide
IUPAC Name: (2E)-N-carbamoyl-2-ethylidenepentanamide
SYSTEMATIC NAME: (2E)-N-aminocarbonyl-2-ethylidene-pentanamide
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: CCC/C(=C\C)/C(=O)NC(=O)N
Structure:
CAS RN: 94488-56-9
CAS Name: 3-(5-bicyclo[2.2.1]hept-2-enylmethyl)-1,1-dimethylurea
OPENEYE Name: 3-(5-bicyclo[2.2.1]hept-2-enylmethyl)-1,1-dimethyl-urea
IUPAC Name: 3-(5-bicyclo[2.2.1]hept-2-enylmethyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(5-bicyclo[2.2.1]hept-2-enylmethyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: CN(C)C(=O)NCC1CC2CC1C=C2
Structure:
CAS RN: 102433-28-3
CAS Name: 1-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)propoxy]-5-benzofuranyl]-3-methylurea
OPENEYE Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylpropoxy)benzofuran-5-yl]-3-methyl-urea
IUPAC Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylpropoxy)-1-benzofuran-5-yl]-3-methylurea
SYSTEMATIC NAME: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylpropoxy)-1-benzofuran-5-yl]-3-methyl-urea
MOLECULAR FORMULA: C19H27N3O5
MOLECULAR WEIGHT: 377.43478
SMILES: CC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3
Structure:
CAS RN: 102433-27-2
CAS Name: 1-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)butoxy]-5-benzofuranyl]-3-methylurea hydrate
OPENEYE Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylbutoxy)benzofuran-5-yl]-3-methyl-urea hydrate
IUPAC Name: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylbutoxy)-1-benzofuran-5-yl]-3-methylurea hydrate
SYSTEMATIC NAME: 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylbutoxy)-1-benzofuran-5-yl]-3-methyl-urea hydrate
MOLECULAR FORMULA: C60H89N9O16
MOLECULAR WEIGHT: 1192.39936
SMILES: CCC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3.CCC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3.CCC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3.O
Structure:
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