CAS RN: 69336-60-3
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-nonyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-nonylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C30H53BrN2O3
MOLECULAR WEIGHT: 569.65742
SMILES: CCCCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC.[Br-]
Structure:
CAS RN: 69336-59-0
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-octyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-octylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C29H51BrN2O3
MOLECULAR WEIGHT: 555.63084
SMILES: CCCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC.[Br-]
Structure:
CAS RN: 69336-58-9
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-heptyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-heptylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C28H49BrN2O3
MOLECULAR WEIGHT: 541.60426
SMILES: CCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC.[Br-]
Structure:
CAS RN: 69336-56-7
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-pentyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-pentylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C26H45BrN2O3
MOLECULAR WEIGHT: 513.5511
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCCCC.[Br-]
Structure:
CAS RN: 69336-55-6
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-butyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-butylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C25H43BrN2O3
MOLECULAR WEIGHT: 499.52452
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCCC.[Br-]
Structure:
CAS RN: 69336-54-5
CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-propyl-1-piperidin-1-iumyl)ethyl ester bromide
OPENEYE Name: 2-(1-propylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
IUPAC Name: 2-(1-propylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
SYSTEMATIC NAME: 2-(1-propylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate bromide
MOLECULAR FORMULA: C24H41BrN2O3
MOLECULAR WEIGHT: 485.49794
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCC.[Br-]
Structure:
CAS RN: 69280-91-7
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-carboxy-1-oxopropyl]amino]-5
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]-2-guanidino-acetyl]amino]-4-oxo-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]hexanoyl]amino]-3-carboxy-propanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(diaminomethylideneamino)-2-[3,5-dihydroxy-4-(hydroxymethyl)phenyl]acetyl]amino]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethyl
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[bis(azanyl)methylideneamino]-2-[4-(hydroxymethyl)-3,5-bis(oxidanyl)phenyl]ethanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-butanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxida
MOLECULAR FORMULA: C36H59N13O13
MOLECULAR WEIGHT: 881.93296
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C1=CC(=C(C(=C1)O)CO)O)N=C(N)N
Structure:
CAS RN: 80335-46-2
CAS Name: 4-(diethylaminomethyl)benzoyl chloride
OPENEYE Name: 4-(diethylaminomethyl)benzoyl chloride
IUPAC Name: 4-(diethylaminomethyl)benzoyl chloride
SYSTEMATIC NAME: 4-(diethylaminomethyl)benzoyl chloride
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 92965-94-1
CAS Name: phenyl-[2-(3-pyridinyl)-1-pyrrolidinyl]methanone
OPENEYE Name: phenyl-[2-(3-pyridyl)pyrrolidin-1-yl]methanone
IUPAC Name: phenyl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SYSTEMATIC NAME: phenyl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: C1CC(N(C1)C(=O)C2=CC=CC=C2)C3=CN=CC=C3
Structure:
CAS RN: 86560-06-7
CAS Name: 1-benzoyl-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-benzoyl-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-benzoyl-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 2-methyl-1-(phenylcarbonyl)-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: CC1=C(C2(CCCCC2)OC1=O)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 87251-56-7
CAS Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)methanone
OPENEYE Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)methanone
IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)methanone
SYSTEMATIC NAME: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)methanone
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: C1COCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OCCOCCO1
Structure:
CAS RN: 4575-42-2
CAS Name: sodium 5-methyl-1H-pyrrole-2-carboxylic acid [(3S,4R,5S)-5-hydroxy-6-[[2-hydroxy-3-[[[5-[[[2-hydroxy-7-[[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)-oxomethoxy]-2-oxanyl]oxy]-8-methyl-4-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-
OPENEYE Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl
IUPAC Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen
SYSTEMATIC NAME: sodium [(3S,4R,5S)-3-methoxy-6-[3-[[5-[[7-[(3R,4S,5R)-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbonylamino]-8-methyl-2-ox
MOLECULAR FORMULA: C55H59N5NaO20+
MOLECULAR WEIGHT: 1133.06823
SMILES: CC1=CC=C(N1)C(=O)O[C@@H]2[C@@H](C(OC([C@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O.[Na+]
Structure:
CAS RN: 27335-31-5
CAS Name: sodium 5-methyl-1H-pyrrole-2-carboxylic acid [(3S,4R,5S)-5-hydroxy-6-[[2-hydroxy-3-[[[5-[[[2-hydroxy-7-[[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)-oxomethoxy]-2-oxanyl]oxy]-8-methyl-4-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-
OPENEYE Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl
IUPAC Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen
SYSTEMATIC NAME: sodium [(3S,4R,5S)-3-methoxy-6-[3-[[5-[[7-[(3R,4S,5R)-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbonylamino]-8-methyl-2-ox
MOLECULAR FORMULA: C55H59N5NaO20+
MOLECULAR WEIGHT: 1133.06823
SMILES: CC1=CC=C(N1)C(=O)O[C@@H]2[C@@H](C(OC([C@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O.[Na+]
Structure:
CAS RN: 29747-76-0
CAS Name: sodium 5-methyl-1H-pyrrole-2-carboxylic acid [(3S,4R,5S)-5-hydroxy-6-[[2-hydroxy-3-[[[5-[[[2-hydroxy-7-[[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)-oxomethoxy]-2-oxanyl]oxy]-8-methyl-4-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-
OPENEYE Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl
IUPAC Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen
SYSTEMATIC NAME: sodium [(3S,4R,5S)-3-methoxy-6-[3-[[5-[[7-[(3R,4S,5R)-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbonylamino]-8-methyl-2-ox
MOLECULAR FORMULA: C55H59N5NaO20+
MOLECULAR WEIGHT: 1133.06823
SMILES: CC1=CC=C(N1)C(=O)O[C@@H]2[C@@H](C(OC([C@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O.[Na+]
Structure:
CAS RN: 87901-11-9
CAS Name: sodium 5-methyl-1H-pyrrole-2-carboxylic acid [(3S,4R,5S)-5-hydroxy-6-[[2-hydroxy-3-[[[5-[[[2-hydroxy-7-[[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)-oxomethoxy]-2-oxanyl]oxy]-8-methyl-4-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-
OPENEYE Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl
IUPAC Name: sodium [(3S,4R,5S)-5-hydroxy-6-[2-hydroxy-3-[[5-[[2-hydroxy-7-[(3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-4-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-4-oxochromen
SYSTEMATIC NAME: sodium [(3S,4R,5S)-3-methoxy-6-[3-[[5-[[7-[(3R,4S,5R)-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1H-pyrrol-3-yl]carbonylamino]-8-methyl-2-ox
MOLECULAR FORMULA: C55H59N5NaO20+
MOLECULAR WEIGHT: 1133.06823
SMILES: CC1=CC=C(N1)C(=O)O[C@@H]2[C@@H](C(OC([C@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O.[Na+]
Structure:
CAS RN: 174022-40-3
CAS Name: 4,6,8,9-tetramethyl-1H-furo[2,3-h]quinolin-2-one
OPENEYE Name: 4,6,8,9-tetramethyl-1H-furo[2,3-h]quinolin-2-one
IUPAC Name: 4,6,8,9-tetramethyl-1H-furo[2,3-h]quinolin-2-one
SYSTEMATIC NAME: 4,6,8,9-tetramethyl-1H-furo[2,3-h]quinolin-2-one
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: CC1=CC(=O)NC2=C3C(=C(OC3=C(C=C12)C)C)C
Structure:
CAS RN: 79282-39-6
CAS Name: (1-bromo-2-phenyl-3-indolizinyl)-[3-chloro-4-[3-(dibutylamino)propoxy]phenyl]methanone
OPENEYE Name: (1-bromo-2-phenyl-indolizin-3-yl)-[3-chloro-4-[3-(dibutylamino)propoxy]phenyl]methanone
IUPAC Name: (1-bromo-2-phenylindolizin-3-yl)-[3-chloro-4-[3-(dibutylamino)propoxy]phenyl]methanone
SYSTEMATIC NAME: (1-bromanyl-2-phenyl-indolizin-3-yl)-[3-chloranyl-4-[3-(dibutylamino)propoxy]phenyl]methanone
MOLECULAR FORMULA: C32H36BrClN2O2
MOLECULAR WEIGHT: 595.99744
SMILES: CCCCN(CCCC)CCCOC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2C=CC=C3)Br)C4=CC=CC=C4)Cl
Structure:
CAS RN: 31297-79-7
CAS Name: (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-10,11-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O10
MOLECULAR WEIGHT: 650.83972
SMILES: C[C@@]12CCC3[C@@]([C@@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@@H]([C@H](C3(C)C)O)O)CO
Structure:
CAS RN: 88721-77-1
CAS Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-4-yl)-3-chloro-2-methoxybenzamide
OPENEYE Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-4-yl)-3-chloro-2-methoxy-benzamide
IUPAC Name: 4-amino-N-(1-azabicyclo[3.3.1]nonan-4-yl)-3-chloro-2-methoxybenzamide
SYSTEMATIC NAME: N-(1-azabicyclo[3.3.1]nonan-4-yl)-4-azanyl-3-chloranyl-2-methoxy-benzamide
MOLECULAR FORMULA: C16H22ClN3O2
MOLECULAR WEIGHT: 323.81778
SMILES: COC1=C(C=CC(=C1Cl)N)C(=O)NC2CCN3CCCC2C3
Structure:
CAS RN: 76053-16-2
CAS Name: 2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-4-oxazolone
OPENEYE Name: 2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]oxazol-4-one
IUPAC Name: 2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-1,3-oxazol-4-one
SYSTEMATIC NAME: 2-[7-chloranyl-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-1,3-oxazol-4-one
MOLECULAR FORMULA: C18H13Cl2N3O2
MOLECULAR WEIGHT: 374.22072
SMILES: C1CN(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C4=NC(=O)CO4
Structure:
CAS RN: 136236-51-6
CAS Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
OPENEYE Name: (1R)-N-prop-2-ynylindan-1-amine
IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: C#CCN[C@@H]1CCC2=CC=CC=C12
Structure:
CAS RN: 161735-79-1
CAS Name: methanesulfonic acid; (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
OPENEYE Name: methanesulfonic acid; (1R)-N-prop-2-ynylindan-1-amine
IUPAC Name: methanesulfonic acid; (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: methanesulfonic acid; (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12
Structure:
CAS RN: 135459-90-4
CAS Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thiophenecarboxylic acid
OPENEYE Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid
IUPAC Name: 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[bis(2-hydroxy-2-oxoethyl)amino]-4-cyano-3-(2-hydroxy-2-oxoethyl)thiophene-2-carboxylic acid
MOLECULAR FORMULA: C12H10N2O8S
MOLECULAR WEIGHT: 342.2814
SMILES: C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 33156-28-4
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-3-[[(2S,5R,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-3-[(2S,5R,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-3-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3-[(2S,5R,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O6
MOLECULAR WEIGHT: 488.65606
SMILES: C[C@H]1[C@@H](CC[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O
Structure:
CAS RN: 96743-96-3
CAS Name: N,N-dimethyl-2-[[4,7,7-trimethyl-3-(phenylmethyl)-3-bicyclo[2.2.1]heptanyl]oxy]ethanamine
OPENEYE Name: 2-(2-benzyl-1,7,7-trimethyl-norbornan-2-yl)oxy-N,N-dimethyl-ethanamine
IUPAC Name: 2-[(3-benzyl-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[[4,7,7-trimethyl-3-(phenylmethyl)-3-bicyclo[2.2.1]heptanyl]oxy]ethanamine
MOLECULAR FORMULA: C21H33NO
MOLECULAR WEIGHT: 315.49282
SMILES: CC1(C2CCC1(C(C2)(CC3=CC=CC=C3)OCCN(C)C)C)C
Structure:
CAS RN: 77197-48-9
CAS Name: N-(5-methyl-1-pyrazolo[1,5-c]quinazolinyl)acetamide
OPENEYE Name: N-(5-methylpyrazolo[1,5-c]quinazolin-1-yl)acetamide
IUPAC Name: N-(5-methylpyrazolo[1,5-c]quinazolin-1-yl)acetamide
SYSTEMATIC NAME: N-(5-methylpyrazolo[1,5-c]quinazolin-1-yl)ethanamide
MOLECULAR FORMULA: C13H12N4O
MOLECULAR WEIGHT: 240.26058
SMILES: CC1=NC2=CC=CC=C2C3=C(C=NN13)NC(=O)C
Structure:
CAS RN: 71276-44-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H41NO5S
MOLECULAR WEIGHT: 479.67244
SMILES: C[C@]12CCN([C@H](C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C.CS(=O)(=O)O
Structure:
CAS RN: 15301-88-9
CAS Name: 2-[(2,6-diethylphenyl)-(2-pyridinyl)methoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[(2,6-diethylphenyl)-(2-pyridyl)methoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[(2,6-diethylphenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(2,6-diethylphenyl)-pyridin-2-yl-methoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C20H28N2O
MOLECULAR WEIGHT: 312.44912
SMILES: CCC1=C(C(=CC=C1)CC)C(C2=CC=CC=N2)OCCN(C)C
Structure:
CAS RN: 72-58-2
CAS Name: [3-[[[(3-carboxy-1-oxopropyl)amino]-oxomethyl]amino]-2-methoxypropyl]-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)mercury
OPENEYE Name: [3-(3-carboxypropanoylcarbamoylamino)-2-methoxy-propyl]-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)mercury
IUPAC Name: [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)mercury
SYSTEMATIC NAME: [1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]-[2-methoxy-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)carbamoylamino]propyl]mercury
MOLECULAR FORMULA: C16H24HgN6O7
MOLECULAR WEIGHT: 612.98776
SMILES: CN1C2C(C(=O)N(C1=O)C)N(C=N2)[Hg]CC(CNC(=O)NC(=O)CCC(=O)O)OC
Structure:
CAS RN: 1740-22-3
CAS Name: [3-[bis(2-pyridinyl)methylidene]-1-cyclopenta-1,4-dienyl]-bis(2-pyridinyl)methanol
OPENEYE Name: [3-[bis(2-pyridyl)methylene]cyclopenta-1,4-dien-1-yl]-bis(2-pyridyl)methanol
IUPAC Name: [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-ylmethanol
SYSTEMATIC NAME: [3-(dipyridin-2-ylmethylidene)cyclopenta-1,4-dien-1-yl]-dipyridin-2-yl-methanol
MOLECULAR FORMULA: C27H20N4O
MOLECULAR WEIGHT: 416.4739
SMILES: C1=CC=NC(=C1)C(=C2C=CC(=C2)C(C3=CC=CC=N3)(C4=CC=CC=N4)O)C5=CC=CC=N5
Structure:
CAS RN: 158364-59-1
CAS Name: N-[2-[[(2,3-dimethyl-8-imidazo[1,2-a]pyridinyl)amino]methyl]-3-methylphenyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methyl-phenyl]carbamate
IUPAC Name: methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methyl-phenyl]carbamate
MOLECULAR FORMULA: C19H22N4O2
MOLECULAR WEIGHT: 338.40358
SMILES: CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
Structure:
CAS RN: 207993-12-2
CAS Name: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide
OPENEYE Name: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-diisopropyl-benzamide
IUPAC Name: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide
SYSTEMATIC NAME: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide
MOLECULAR FORMULA: C29H39N3O3
MOLECULAR WEIGHT: 477.63826
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3CN(CC[C@H]3N=C2C4=CC=C(C=C4)C(=O)N(C(C)C)C(C)C)C)OC
Structure:
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