CAS RN: 23383-23-5
CAS Name: 1-aziridinyl(1-naphthalenyl)methanone
OPENEYE Name: aziridin-1-yl(1-naphthyl)methanone
IUPAC Name: aziridin-1-yl(naphthalen-1-yl)methanone
SYSTEMATIC NAME: aziridin-1-yl(naphthalen-1-yl)methanone
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C1CN1C(=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 23483-20-7
CAS Name: (2S)-1-[(2S)-2-[[5-(2,3-dihydrobenzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[4-(2,3-dihydrobenzofuran-2-yl)-1-ethoxycarbonyl-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1-ethoxy-1-oxidanylidene-pentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C23H32N2O6
MOLECULAR WEIGHT: 432.50998
SMILES: CCOC(=O)C(CCCC1CC2=CC=CC=C2O1)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)O
Structure:
CAS RN: 23210-58-4
CAS Name: 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]phenol; 2,3,4-trihydroxy-4-oxobutanoate
OPENEYE Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxy-propyl]phenol; 2,3,4-trihydroxy-4-oxo-butanoate
IUPAC Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxypropyl]phenol; 2,3,4-trihydroxy-4-oxobutanoate
SYSTEMATIC NAME: 4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]phenol; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C25H33NO8
MOLECULAR WEIGHT: 475.53142
SMILES: CC(C(C1=CC=C(C=C1)O)O)[NH+]2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)O)O
Structure:
CAS RN: 90674-44-5
CAS Name: 2-[[5-hydroxy-1-(phenylmethyl)-3-indazolyl]oxy]acetic acid
OPENEYE Name: 2-(1-benzyl-5-hydroxy-indazol-3-yl)oxyacetic acid
IUPAC Name: 2-(1-benzyl-5-hydroxyindazol-3-yl)oxyacetic acid
SYSTEMATIC NAME: 2-[5-oxidanyl-1-(phenylmethyl)indazol-3-yl]oxyethanoic acid
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=N2)OCC(=O)O
Structure:
CAS RN: 23145-88-2
CAS Name: 1-[(4-chlorophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-chlorophenyl)methyl]piperazine
IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 23711-19-5
CAS Name: 1-[(4-chlorophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-chlorophenyl)methyl]piperazine
IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 84744-77-4
CAS Name: 3-(2-imino-3-phosphono-1-imidazolidinyl)propanoic acid
OPENEYE Name: 3-(2-imino-3-phosphono-imidazolidin-1-yl)propanoic acid
IUPAC Name: 3-(2-imino-3-phosphonoimidazolidin-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-azanylidene-3-phosphono-imidazolidin-1-yl)propanoic acid
MOLECULAR FORMULA: C6H12N3O5P
MOLECULAR WEIGHT: 237.150341
SMILES: C1CN(C(=N)N1CCC(=O)O)P(=O)(O)O
Structure:
CAS RN: 84742-92-7
CAS Name: acetic acid [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] ester
OPENEYE Name: [3-acetoxy-5-[3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-2-yl] acetate
IUPAC Name: [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
SYSTEMATIC NAME: [3-acetyloxy-5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C21H31NO6
MOLECULAR WEIGHT: 393.47394
SMILES: CC(=O)OC1CC2=C(CC1OC(=O)C)C(=CC=C2)OCC(CNC(C)(C)C)O
Structure:
CAS RN: 84718-96-7
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylpropoxy)oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-(2-phenylpropoxy)oxane-2-carboxylic acid
MOLECULAR FORMULA: C15H20O7
MOLECULAR WEIGHT: 312.3151
SMILES: CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C2=CC=CC=C2
Structure:
CAS RN: 23079-28-9
CAS Name: 1-[bis(3-methylbutyl)phosphoryl]-3-methylbutane
OPENEYE Name: 1-diisopentylphosphoryl-3-methyl-butane
IUPAC Name: 1-[bis(3-methylbutyl)phosphoryl]-3-methylbutane
SYSTEMATIC NAME: 1-[bis(3-methylbutyl)phosphoryl]-3-methyl-butane
MOLECULAR FORMULA: C15H33OP
MOLECULAR WEIGHT: 260.395681
SMILES: CC(C)CCP(=O)(CCC(C)C)CCC(C)C
Structure:
CAS RN: 84713-89-3
CAS Name: disodium (2S,5R,6R)-6-[(5-acetamido-5-carboxylato-1-oxopentyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
OPENEYE Name: disodium (2S,5R,6R)-6-[(5-acetamido-5-carboxylato-pentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: disodium (2S,5R,6R)-6-[(5-acetamido-5-carboxylatopentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: disodium (2S,5R,6R)-6-[(5-acetamido-6-oxidanidyl-6-oxidanylidene-hexanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C16H21N3Na2O7S
MOLECULAR WEIGHT: 445.39838
SMILES: CC(=O)NC(CCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 84713-43-9
CAS Name: acetic acid [3,5-dibromo-1-(cyanomethyl)-4-oxo-1-cyclohexa-2,5-dienyl] ester
OPENEYE Name: [3,5-dibromo-1-(cyanomethyl)-4-oxo-cyclohexa-2,5-dien-1-yl] acetate
IUPAC Name: [3,5-dibromo-1-(cyanomethyl)-4-oxocyclohexa-2,5-dien-1-yl] acetate
SYSTEMATIC NAME: [3,5-bis(bromanyl)-1-(cyanomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] ethanoate
MOLECULAR FORMULA: C10H7Br2NO3
MOLECULAR WEIGHT: 348.97548
SMILES: CC(=O)OC1(C=C(C(=O)C(=C1)Br)Br)CC#N
Structure:
CAS RN: 22771-58-0
CAS Name: (2S)-2-amino-4-methyl-4,5-ditritiopentanoic acid
OPENEYE Name: (2S)-2-amino-4-methyl-4,5-ditritio-pentanoic acid
IUPAC Name: (2S)-2-amino-4-methyl-4,5-ditritiopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-methyl-4,5-ditritio-pentanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 135.189139
SMILES: [3H]CC([3H])(C)C[C@@H](C(=O)O)N
Structure:
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