CAS RN: 6232-12-8
CAS Name: 4-(aminomethyl)benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-(aminomethyl)benzoate hydrochloride
IUPAC Name: ethyl 4-(aminomethyl)benzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-(aminomethyl)benzoate hydrochloride
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: CCOC(=O)C1=CC=C(C=C1)CN.Cl
Structure:
CAS RN: 929971-93-7
CAS Name: 6-hydroxy-9-azaspiro[3.5]nonane-9-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 6-hydroxy-9-azaspiro[3.5]nonane-9-carboxylate
IUPAC Name: tert-butyl 6-hydroxy-9-azaspiro[3.5]nonane-9-carboxylate
SYSTEMATIC NAME: tert-butyl 6-oxidanyl-9-azaspiro[3.5]nonane-9-carboxylate
MOLECULAR FORMULA: C13H23NO3
MOLECULAR WEIGHT: 241.32662
SMILES: CC(C)(C)OC(=O)N1CCC(CC12CCC2)O
Structure:
CAS RN: 7112-37-0
CAS Name: 2-pyridinylmethylhydrazine
OPENEYE Name: 2-pyridylmethylhydrazine
IUPAC Name: pyridin-2-ylmethylhydrazine
SYSTEMATIC NAME: pyridin-2-ylmethyldiazane
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: C1=CC=NC(=C1)CNN
Structure:
CAS RN: 273206-92-1
CAS Name: 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
IUPAC Name: tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
SYSTEMATIC NAME: tert-butyl 6-azanyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(C)(C)OC(=O)N1CC2C(C1)C2N
Structure:
CAS RN: 923790-15-2
CAS Name: 3,5-dimethoxy-4-(3-pyridinylmethoxy)benzoic acid
OPENEYE Name: 3,5-dimethoxy-4-(3-pyridylmethoxy)benzoic acid
IUPAC Name: 3,5-dimethoxy-4-(pyridin-3-ylmethoxy)benzoic acid
SYSTEMATIC NAME: 3,5-dimethoxy-4-(pyridin-3-ylmethoxy)benzoic acid
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: COC1=CC(=CC(=C1OCC2=CN=CC=C2)OC)C(=O)O
Structure:
CAS RN: 919026-20-3
CAS Name: 2,6-dimethyl-4-morpholinesulfonyl chloride
OPENEYE Name: 2,6-dimethylmorpholine-4-sulfonyl chloride
IUPAC Name: 2,6-dimethylmorpholine-4-sulfonyl chloride
SYSTEMATIC NAME: 2,6-dimethylmorpholine-4-sulfonyl chloride
MOLECULAR FORMULA: C6H12ClNO3S
MOLECULAR WEIGHT: 213.68238
SMILES: CC1CN(CC(O1)C)S(=O)(=O)Cl
Structure:
CAS RN: 885271-15-8
CAS Name: 6-bromo-8-methoxy-2H-1-benzopyran-3-carboxaldehyde
OPENEYE Name: 6-bromo-8-methoxy-2H-chromene-3-carbaldehyde
IUPAC Name: 6-bromo-8-methoxy-2H-chromene-3-carbaldehyde
SYSTEMATIC NAME: 6-bromanyl-8-methoxy-2H-chromene-3-carbaldehyde
MOLECULAR FORMULA: C11H9BrO3
MOLECULAR WEIGHT: 269.09136
SMILES: COC1=C2C(=CC(=C1)Br)C=C(CO2)C=O
Structure:
CAS RN: 923145-68-0
CAS Name: 2-amino-4-(difluoromethoxy)-5-methoxybenzoic acid
OPENEYE Name: 2-amino-4-(difluoromethoxy)-5-methoxy-benzoic acid
IUPAC Name: 2-amino-4-(difluoromethoxy)-5-methoxybenzoic acid
SYSTEMATIC NAME: 2-azanyl-4-[bis(fluoranyl)methoxy]-5-methoxy-benzoic acid
MOLECULAR FORMULA: C9H9F2NO4
MOLECULAR WEIGHT: 233.168866
SMILES: COC1=C(C=C(C(=C1)C(=O)O)N)OC(F)F
Structure:
CAS RN: 5378-35-8
CAS Name: 3-(1,3,4-oxadiazol-2-yl)aniline
OPENEYE Name: 3-(1,3,4-oxadiazol-2-yl)aniline
IUPAC Name: 3-(1,3,4-oxadiazol-2-yl)aniline
SYSTEMATIC NAME: 3-(1,3,4-oxadiazol-2-yl)aniline
MOLECULAR FORMULA: C8H7N3O
MOLECULAR WEIGHT: 161.16068
SMILES: C1=CC(=CC(=C1)N)C2=NN=CO2
Structure:
CAS RN: 885532-41-2
CAS Name: 4-bromo-2,5-dichlorobenzoic acid
OPENEYE Name: 4-bromo-2,5-dichloro-benzoic acid
IUPAC Name: 4-bromo-2,5-dichlorobenzoic acid
SYSTEMATIC NAME: 4-bromanyl-2,5-bis(chloranyl)benzoic acid
MOLECULAR FORMULA: C7H3BrCl2O2
MOLECULAR WEIGHT: 269.90752
SMILES: C1=C(C(=CC(=C1Cl)Br)Cl)C(=O)O
Structure:
CAS RN: 148900-69-0
CAS Name: (2-methoxy-4-pyridinyl)methanamine
OPENEYE Name: (2-methoxy-4-pyridyl)methanamine
IUPAC Name: (2-methoxypyridin-4-yl)methanamine
SYSTEMATIC NAME: (2-methoxypyridin-4-yl)methanamine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: COC1=NC=CC(=C1)CN
Structure:
CAS RN: 19764-61-5
CAS Name: N2,N2,3-trimethylbutane-1,2-diamine
OPENEYE Name: N2,N2,3-trimethylbutane-1,2-diamine
IUPAC Name: 2-N,2-N,3-trimethylbutane-1,2-diamine
SYSTEMATIC NAME: N2,N2,3-trimethylbutane-1,2-diamine
MOLECULAR FORMULA: C7H18N2
MOLECULAR WEIGHT: 130.23122
SMILES: CC(C)C(CN)N(C)C
Structure:
CAS RN: 345965-52-8
CAS Name: 1-(4-bromophenyl)-1-cyclopropanecarboxylic acid
OPENEYE Name: 1-(4-bromophenyl)cyclopropanecarboxylic acid
IUPAC Name: 1-(4-bromophenyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-(4-bromophenyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H9BrO2
MOLECULAR WEIGHT: 241.08126
SMILES: C1CC1(C2=CC=C(C=C2)Br)C(=O)O
Structure:
CAS RN: 550369-26-1
CAS Name: 1-methylsulfonyl-1,4-diazepane
OPENEYE Name: 1-methylsulfonyl-1,4-diazepane
IUPAC Name: 1-methylsulfonyl-1,4-diazepane
SYSTEMATIC NAME: 1-methylsulfonyl-1,4-diazepane
MOLECULAR FORMULA: C6H14N2O2S
MOLECULAR WEIGHT: 178.25256
SMILES: CS(=O)(=O)N1CCCNCC1
Structure:
CAS RN: 704-91-6
CAS Name: 1H-indazole-6-carboxylic acid
OPENEYE Name: 1H-indazole-6-carboxylic acid
IUPAC Name: 1H-indazole-6-carboxylic acid
SYSTEMATIC NAME: 1H-indazole-6-carboxylic acid
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: C1=CC2=C(C=C1C(=O)O)NN=C2
Structure:
CAS RN: 884058-04-2
CAS Name: 5-(chloromethyl)-3-propyl-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-propyl-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-propyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-propyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C6H9ClN2O
MOLECULAR WEIGHT: 160.60146
SMILES: CCCC1=NOC(=N1)CCl
Structure:
CAS RN: 380391-51-5
CAS Name: 2-methyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-one
OPENEYE Name: 2-methyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-one
IUPAC Name: 2-methyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-one
SYSTEMATIC NAME: 2-methyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-one
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: CC1=CC2=NC(=O)CCN2N1
Structure:
CAS RN: 429673-79-0
CAS Name: (3S,4S)-3-amino-4-methoxy-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3S,4S)-3-amino-4-methoxy-pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3S,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3S,4S)-3-azanyl-4-methoxy-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)OC)N
Structure:
CAS RN: 180975-51-3
CAS Name: (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
IUPAC Name: tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
SYSTEMATIC NAME: tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2CCN[C@@H]2C1
Structure:
CAS RN: 35090-96-1
CAS Name: 4-morpholinyl(3-piperidinyl)methanone
OPENEYE Name: morpholino(3-piperidyl)methanone
IUPAC Name: morpholin-4-yl(piperidin-3-yl)methanone
SYSTEMATIC NAME: morpholin-4-yl(piperidin-3-yl)methanone
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: C1CC(CNC1)C(=O)N2CCOCC2
Structure:
CAS RN: 166883-20-1
CAS Name: 1-methyl-2-oxo-3H-indole-5-sulfonyl chloride
OPENEYE Name: 1-methyl-2-oxo-indoline-5-sulfonyl chloride
IUPAC Name: 1-methyl-2-oxo-3H-indole-5-sulfonyl chloride
SYSTEMATIC NAME: 1-methyl-2-oxidanylidene-3H-indole-5-sulfonyl chloride
MOLECULAR FORMULA: C9H8ClNO3S
MOLECULAR WEIGHT: 245.68272
SMILES: CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)Cl
Structure:
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