CAS RN: 185693-08-7
CAS Name: [(1S,5R)-3-azoniabicyclo[3.1.0]hexan-6-yl]ammonium
OPENEYE Name: [(1S,5R)-3-azoniabicyclo[3.1.0]hexan-6-yl]ammonium
IUPAC Name: [(1S,5R)-3-azoniabicyclo[3.1.0]hexan-6-yl]azanium
SYSTEMATIC NAME: [(1S,5R)-3-azoniabicyclo[3.1.0]hexan-6-yl]azanium
MOLECULAR FORMULA: C5H12N2+2
MOLECULAR WEIGHT: 100.16218
SMILES: C1[C@@H]2[C@@H](C2[NH3+])C[NH2+]1
Structure:
CAS RN: 886362-90-9
CAS Name: 3-[2-(3-ethoxy-3-oxopropoxy)ethoxy]propanoic acid
OPENEYE Name: 3-[2-(3-ethoxy-3-oxo-propoxy)ethoxy]propanoic acid
IUPAC Name: 3-[2-(3-ethoxy-3-oxopropoxy)ethoxy]propanoic acid
SYSTEMATIC NAME: 3-[2-(3-ethoxy-3-oxidanylidene-propoxy)ethoxy]propanoic acid
MOLECULAR FORMULA: C10H18O6
MOLECULAR WEIGHT: 234.24632
SMILES: CCOC(=O)CCOCCOCCC(=O)O
Structure:
CAS RN: 458550-48-6
CAS Name: 3-(4-methoxyanilino)benzonitrile
OPENEYE Name: 3-(4-methoxyanilino)benzonitrile
IUPAC Name: 3-(4-methoxyanilino)benzonitrile
SYSTEMATIC NAME: 3-[(4-methoxyphenyl)amino]benzenecarbonitrile
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: COC1=CC=C(C=C1)NC2=CC=CC(=C2)C#N
Structure:
CAS RN: 886362-62-5
CAS Name: 4-(3-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C16H22BrNO2
MOLECULAR WEIGHT: 340.25538
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)Br
Structure:
CAS RN: 886362-41-0
CAS Name: N-[[3-(4-methoxyanilino)phenyl]methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[[3-(4-methoxyanilino)phenyl]methyl]carbamate
IUPAC Name: tert-butyl N-[[3-(4-methoxyanilino)phenyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[3-[(4-methoxyphenyl)amino]phenyl]methyl]carbamate
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC2=CC=C(C=C2)OC
Structure:
CAS RN: 885275-10-5
CAS Name: 2-pyrazolo[1,5-a]pyridinecarboxaldehyde
OPENEYE Name: pyrazolo[1,5-a]pyridine-2-carbaldehyde
IUPAC Name: pyrazolo[1,5-a]pyridine-2-carbaldehyde
SYSTEMATIC NAME: pyrazolo[1,5-a]pyridine-2-carbaldehyde
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC2=CC(=NN2C=C1)C=O
Structure:
CAS RN: 203941-94-0
CAS Name: (3R)-3-(methylamino)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-(methylamino)piperidine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-(methylamino)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-(methylamino)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)NC
Structure:
CAS RN: 884494-71-7
CAS Name: 2-bromo-6-methyl-4-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-bromo-6-methyl-pyridine-4-carboxylate
IUPAC Name: methyl 2-bromo-6-methylpyridine-4-carboxylate
SYSTEMATIC NAME: methyl 2-bromanyl-6-methyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: CC1=NC(=CC(=C1)C(=O)OC)Br
Structure:
CAS RN: 884494-57-9
CAS Name: 5-chloro-2-fluoro-3-pyridinecarboxylic acid
OPENEYE Name: 5-chloro-2-fluoro-pyridine-3-carboxylic acid
IUPAC Name: 5-chloro-2-fluoropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-2-fluoranyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H3ClFNO2
MOLECULAR WEIGHT: 175.544923
SMILES: C1=C(C(=NC=C1Cl)F)C(=O)O
Structure:
CAS RN: 55404-31-4
CAS Name: 3-bromo-2-chloro-4-methylpyridine
OPENEYE Name: 3-bromo-2-chloro-4-methyl-pyridine
IUPAC Name: 3-bromo-2-chloro-4-methylpyridine
SYSTEMATIC NAME: 3-bromanyl-2-chloranyl-4-methyl-pyridine
MOLECULAR FORMULA: C6H5BrClN
MOLECULAR WEIGHT: 206.4676
SMILES: CC1=C(C(=NC=C1)Cl)Br
Structure:
CAS RN: 470463-34-4
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxylate
OPENEYE Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
IUPAC Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
SYSTEMATIC NAME: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
MOLECULAR FORMULA: C11H13N2O3-
MOLECULAR WEIGHT: 221.23252
SMILES: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)[O-]
Structure:
CAS RN: 474317-64-1
CAS Name: (3R,4R)-4-methoxycarbonyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate
OPENEYE Name: (3R,4R)-1-benzyl-4-methoxycarbonyl-pyrrolidin-1-ium-3-carboxylate
IUPAC Name: (3R,4R)-1-benzyl-4-methoxycarbonylpyrrolidin-1-ium-3-carboxylate
SYSTEMATIC NAME: (3R,4R)-4-methoxycarbonyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate
MOLECULAR FORMULA: C14H17NO4
MOLECULAR WEIGHT: 263.28908
SMILES: COC(=O)[C@H]1C[NH+](C[C@@H]1C(=O)[O-])CC2=CC=CC=C2
Structure:
CAS RN: 136849-75-7
CAS Name: 4-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoate
OPENEYE Name: 4-[4-(hydroxymethyl)-3-methoxy-phenoxy]butanoate
IUPAC Name: 4-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoate
SYSTEMATIC NAME: 4-[4-(hydroxymethyl)-3-methoxy-phenoxy]butanoate
MOLECULAR FORMULA: C12H15O5-
MOLECULAR WEIGHT: 239.2445
SMILES: COC1=C(C=CC(=C1)OCCCC(=O)[O-])CO
Structure:
CAS RN: 847227-37-6
CAS Name: 5-butyl-2-chloropyrimidine
OPENEYE Name: 5-butyl-2-chloro-pyrimidine
IUPAC Name: 5-butyl-2-chloropyrimidine
SYSTEMATIC NAME: 5-butyl-2-chloranyl-pyrimidine
MOLECULAR FORMULA: C8H11ClN2
MOLECULAR WEIGHT: 170.63934
SMILES: CCCCC1=CN=C(N=C1)Cl
Structure:
CAS RN: 108824-74-4
CAS Name: (2R)-2-[(3R)-3-methyl-2-oxo-1-piperazin-4-iumyl]propanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-[(3R)-3-methyl-2-oxo-piperazin-4-ium-1-yl]propanoate
IUPAC Name: methyl (2R)-2-[(3R)-3-methyl-2-oxopiperazin-4-ium-1-yl]propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(3R)-3-methyl-2-oxidanylidene-piperazin-4-ium-1-yl]propanoate
MOLECULAR FORMULA: C9H17N2O3+
MOLECULAR WEIGHT: 201.24288
SMILES: C[C@@H]1C(=O)N(CC[NH2+]1)[C@H](C)C(=O)OC
Structure:
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