CAS RN: 144178-21-2
CAS Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylammonium
OPENEYE Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylammonium
IUPAC Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylazanium
SYSTEMATIC NAME: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylazanium
MOLECULAR FORMULA: C10H20N+
MOLECULAR WEIGHT: 154.2725
SMILES: CC(=C[C@@H]1[C@@H](C1(C)C)C[NH3+])C
Structure:
CAS RN: 101585-37-9
CAS Name: 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoate
OPENEYE Name: 3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanoate
IUPAC Name: 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoate
SYSTEMATIC NAME: 3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoate
MOLECULAR FORMULA: C17H18NO4S-
MOLECULAR WEIGHT: 332.39412
SMILES: CC1=CC=C(C=C1)N(CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 193538-28-2
CAS Name: 1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxylate
OPENEYE Name: 1-(2-pyridylmethyl)piperidin-1-ium-4-carboxylate
IUPAC Name: 1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: 1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C1C[NH+](CCC1C(=O)[O-])CC2=CC=CC=N2
Structure:
CAS RN: 20357-15-7
CAS Name: 1,2-dimethyl-3-indolecarboxylate
OPENEYE Name: 1,2-dimethylindole-3-carboxylate
IUPAC Name: 1,2-dimethylindole-3-carboxylate
SYSTEMATIC NAME: 1,2-dimethylindole-3-carboxylate
MOLECULAR FORMULA: C11H10NO2-
MOLECULAR WEIGHT: 188.2026
SMILES: CC1=C(C2=CC=CC=C2N1C)C(=O)[O-]
Structure:
CAS RN: 79-55-0
CAS Name: 1,2,2,6,6-pentamethylpiperidin-1-ium
OPENEYE Name: 1,2,2,6,6-pentamethylpiperidin-1-ium
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-1-ium
SYSTEMATIC NAME: 1,2,2,6,6-pentamethylpiperidin-1-ium
MOLECULAR FORMULA: C10H22N+
MOLECULAR WEIGHT: 156.28838
SMILES: CC1(CCCC([NH+]1C)(C)C)C
Structure:
CAS RN: 3916-18-5
CAS Name: (2S,3R)-2-ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
OPENEYE Name: (2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoate
IUPAC Name: (2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
SYSTEMATIC NAME: (2S,3R)-2-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C9H11NO5
MOLECULAR WEIGHT: 213.18734
SMILES: C1=CC(=C(C=C1[C@H]([C@@H](C(=O)[O-])[NH3+])O)O)O
Structure:
CAS RN: 70419-11-3
CAS Name: (2R)-6-methyl-2-heptanamine
OPENEYE Name: (2R)-6-methylheptan-2-amine
IUPAC Name: (2R)-6-methylheptan-2-amine
SYSTEMATIC NAME: (2R)-6-methylheptan-2-amine
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: C[C@H](CCCC(C)C)N
Structure:
CAS RN: 44641-43-2
CAS Name: [(2S)-3-mercapto-1-methoxy-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1S)-2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]ammonium
IUPAC Name: [(2S)-1-methoxy-1-oxo-3-sulfanylpropan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]azanium
MOLECULAR FORMULA: C4H10NO2S+
MOLECULAR WEIGHT: 136.1927
SMILES: COC(=O)[C@@H](CS)[NH3+]
Structure:
CAS RN: 36861-47-9
CAS Name: (1R,2E,4S)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (1S,3E,4R)-1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
IUPAC Name: (1R,2E,4S)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1R,2E,4S)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C18H22O
MOLECULAR WEIGHT: 254.36668
SMILES: CC1=CC=C(C=C1)/C=C/2\[C@@H]3CC[C@](C2=O)(C3(C)C)C
Structure:
CAS RN: 436088-75-4
CAS Name: 4-[oxo-(2-pyridinylamino)methyl]-1H-imidazole-5-carboxylate
OPENEYE Name: 4-(2-pyridylcarbamoyl)-1H-imidazole-5-carboxylate
IUPAC Name: 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
SYSTEMATIC NAME: 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
MOLECULAR FORMULA: C10H7N4O3-
MOLECULAR WEIGHT: 231.18758
SMILES: C1=CC=NC(=C1)NC(=O)C2=C(NC=N2)C(=O)[O-]
Structure:
CAS RN: 21241-41-8
CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetate
OPENEYE Name: 2-(adamantane-1-carbonylamino)acetate
IUPAC Name: 2-(adamantane-1-carbonylamino)acetate
SYSTEMATIC NAME: 2-(1-adamantylcarbonylamino)ethanoate
MOLECULAR FORMULA: C13H18NO3-
MOLECULAR WEIGHT: 236.28692
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)[O-]
Structure:
CAS RN: 38740-33-9
CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-chloroethanone
OPENEYE Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloro-ethanone
IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloroethanone
SYSTEMATIC NAME: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloranyl-ethanone
MOLECULAR FORMULA: C14H18ClN2O3+
MOLECULAR WEIGHT: 297.75732
SMILES: C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCl
Structure:
CAS RN: 23082-12-4
CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(3,4-dimethylbenzoyl)amino]acetate
IUPAC Name: 2-[(3,4-dimethylbenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C11H12NO3-
MOLECULAR WEIGHT: 206.21788
SMILES: CC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])C
Structure:
CAS RN: 18409-49-9
CAS Name: (2R)-2-(carbamoylamino)propanoate
OPENEYE Name: (2R)-2-ureidopropanoate
IUPAC Name: (2R)-2-(carbamoylamino)propanoate
SYSTEMATIC NAME: (2R)-2-(aminocarbonylamino)propanoate
MOLECULAR FORMULA: C4H7N2O3-
MOLECULAR WEIGHT: 131.10998
SMILES: C[C@H](C(=O)[O-])NC(=O)N
Structure:
CAS RN: 18409-49-9
CAS Name: (2S)-2-(carbamoylamino)propanoate
OPENEYE Name: (2S)-2-ureidopropanoate
IUPAC Name: (2S)-2-(carbamoylamino)propanoate
SYSTEMATIC NAME: (2S)-2-(aminocarbonylamino)propanoate
MOLECULAR FORMULA: C4H7N2O3-
MOLECULAR WEIGHT: 131.10998
SMILES: C[C@@H](C(=O)[O-])NC(=O)N
Structure:
CAS RN: 6270-23-1
CAS Name: 2-(2-methoxy-4-methylphenoxy)acetate
OPENEYE Name: 2-(2-methoxy-4-methyl-phenoxy)acetate
IUPAC Name: 2-(2-methoxy-4-methylphenoxy)acetate
SYSTEMATIC NAME: 2-(2-methoxy-4-methyl-phenoxy)ethanoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: CC1=CC(=C(C=C1)OCC(=O)[O-])OC
Structure:
CAS RN: 5874-58-8
CAS Name: (2S)-1-benzoyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-benzoylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-benzoylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 25244-68-2
CAS Name: 2-(10-phenothiazinyl)acetate
OPENEYE Name: 2-phenothiazin-10-ylacetate
IUPAC Name: 2-phenothiazin-10-ylacetate
SYSTEMATIC NAME: 2-phenothiazin-10-ylethanoate
MOLECULAR FORMULA: C14H10NO2S-
MOLECULAR WEIGHT: 256.2997
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)[O-]
Structure:
CAS RN: 146603-28-3
CAS Name: 1H-perimidine-2-carboxylate
OPENEYE Name: 1H-perimidine-2-carboxylate
IUPAC Name: 1H-perimidine-2-carboxylate
SYSTEMATIC NAME: 1H-perimidine-2-carboxylate
MOLECULAR FORMULA: C12H7N2O2-
MOLECULAR WEIGHT: 211.19618
SMILES: C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C(=O)[O-]
Structure:
CAS RN: 154775-43-6
CAS Name: 3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]propanoate
OPENEYE Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)propanoate
IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoate
SYSTEMATIC NAME: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoate
MOLECULAR FORMULA: C13H22NO4-
MOLECULAR WEIGHT: 256.31808
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)[O-]
Structure:
CAS RN: 261165-05-3
CAS Name: (1S,3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopentanecarboxylate
OPENEYE Name: (1S,3R)-3-(tert-butoxycarbonylamino)cyclopentanecarboxylate
IUPAC Name: (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SYSTEMATIC NAME: (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
MOLECULAR FORMULA: C11H18NO4-
MOLECULAR WEIGHT: 228.26492
SMILES: CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)C(=O)[O-]
Structure:
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