CAS RN: 61838-98-0
CAS Name: 2,3,5,6-tetraiodobenzene-1,4-dicarboxylic acid bis(2-hydroxyethyl) ester
OPENEYE Name: bis(2-hydroxyethyl) 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
IUPAC Name: bis(2-hydroxyethyl) 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis(2-hydroxyethyl) 2,3,5,6-tetrakis(iodanyl)benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C12H10I4O6
MOLECULAR WEIGHT: 757.82208
SMILES: C(COC(=O)C1=C(C(=C(C(=C1I)I)C(=O)OCCO)I)I)O
Structure:
CAS RN: 61834-12-6
CAS Name: (2S,5R,6R)-3,3-dimethyl-6-[[[5-methyl-4-(phenylmethyl)-2-oxolanyl]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(4-benzyl-5-methyl-tetrahydrofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(4-benzyl-5-methyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-6-[[5-methyl-4-(phenylmethyl)oxolan-2-yl]carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H26N2O5S
MOLECULAR WEIGHT: 418.50654
SMILES: CC1C(CC(O1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)CC4=CC=CC=C4
Structure:
CAS RN: 61834-11-5
CAS Name: (2S,5R,6R)-6-[[(4,5-dimethyl-2-oxolanyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(4,5-dimethyltetrahydrofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(4,5-dimethyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(4,5-dimethyloxolan-2-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C15H22N2O5S
MOLECULAR WEIGHT: 342.41058
SMILES: CC1CC(OC1C)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O
Structure:
CAS RN: 61834-10-4
CAS Name: (2S,5R,6R)-6-[[[5-[(4-methoxyphenyl)methyl]-2-oxolanyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[5-[(4-methoxyphenyl)methyl]tetrahydrofuran-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[5-[(4-methoxyphenyl)methyl]oxolane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[5-[(4-methoxyphenyl)methyl]oxolan-2-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H26N2O6S
MOLECULAR WEIGHT: 434.50594
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCC(O3)CC4=CC=C(C=C4)OC)C(=O)O)C
Structure:
CAS RN: 61834-09-1
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[oxo-[5-(phenylmethyl)-2-oxolanyl]methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(5-benzyltetrahydrofuran-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(5-benzyloxolane-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[[5-(phenylmethyl)oxolan-2-yl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCC(O3)CC4=CC=CC=C4)C(=O)O)C
Structure:
CAS RN: 61832-65-3
CAS Name: acetic acid [2-acetyloxy-4-[1-(phenylmethyl)-3-piperidinyl]phenyl] ester; oxalic acid
OPENEYE Name: [2-acetoxy-4-(1-benzyl-3-piperidyl)phenyl] acetate; oxalic acid
IUPAC Name: [2-acetyloxy-4-(1-benzylpiperidin-3-yl)phenyl] acetate; oxalic acid
SYSTEMATIC NAME: [2-acetyloxy-4-[1-(phenylmethyl)piperidin-3-yl]phenyl] ethanoate; ethanedioic acid
MOLECULAR FORMULA: C24H27NO8
MOLECULAR WEIGHT: 457.47308
SMILES: CC(=O)OC1=C(C=C(C=C1)C2CCCN(C2)CC3=CC=CC=C3)OC(=O)C.C(=O)(C(=O)O)O
Structure:
CAS RN: 61832-63-1
CAS Name: oxalic acid; 4-[1-(phenylmethyl)-3-piperidinyl]benzene-1,2-diol
OPENEYE Name: 4-(1-benzyl-3-piperidyl)benzene-1,2-diol; oxalic acid
IUPAC Name: 4-(1-benzylpiperidin-3-yl)benzene-1,2-diol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 4-[1-(phenylmethyl)piperidin-3-yl]benzene-1,2-diol
MOLECULAR FORMULA: C38H44N2O8
MOLECULAR WEIGHT: 656.76456
SMILES: C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)O)O.C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 61832-54-0
CAS Name: acetic acid [2-acetyloxy-4-(3-piperidinyl)phenyl] ester; oxalic acid
OPENEYE Name: [2-acetoxy-4-(3-piperidyl)phenyl] acetate; oxalic acid
IUPAC Name: (2-acetyloxy-4-piperidin-3-ylphenyl) acetate; oxalic acid
SYSTEMATIC NAME: (2-acetyloxy-4-piperidin-3-yl-phenyl) ethanoate; ethanedioic acid
MOLECULAR FORMULA: C17H21NO8
MOLECULAR WEIGHT: 367.35054
SMILES: CC(=O)OC1=C(C=C(C=C1)C2CCCNC2)OC(=O)C.C(=O)(C(=O)O)O
Structure:
CAS RN: 61832-52-8
CAS Name: 4-(3-piperidinyl)benzene-1,2-diol hydrobromide
OPENEYE Name: 4-(3-piperidyl)benzene-1,2-diol hydrobromide
IUPAC Name: 4-piperidin-3-ylbenzene-1,2-diol hydrobromide
SYSTEMATIC NAME: 4-piperidin-3-ylbenzene-1,2-diol hydrobromide
MOLECULAR FORMULA: C11H16BrNO2
MOLECULAR WEIGHT: 274.15424
SMILES: C1CC(CNC1)C2=CC(=C(C=C2)O)O.Br
Structure:
CAS RN: 61823-65-2
CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid [oxo(propylamino)methyl] ester
OPENEYE Name: propylcarbamoyl (2R)-2-acetamido-3-sulfanyl-propanoate
IUPAC Name: propylcarbamoyl (2R)-2-acetamido-3-sulfanylpropanoate
SYSTEMATIC NAME: propylcarbamoyl (2R)-2-acetamido-3-sulfanyl-propanoate
MOLECULAR FORMULA: C9H16N2O4S
MOLECULAR WEIGHT: 248.29934
SMILES: CCCNC(=O)OC(=O)[C@H](CS)NC(=O)C
Structure:
CAS RN: 61822-38-6
CAS Name: 4-ethynyl-4-heptanamine hydrochloride
OPENEYE Name: 4-ethynylheptan-4-amine hydrochloride
IUPAC Name: 4-ethynylheptan-4-amine hydrochloride
SYSTEMATIC NAME: 4-ethynylheptan-4-amine hydrochloride
MOLECULAR FORMULA: C9H18ClN
MOLECULAR WEIGHT: 175.69892
SMILES: CCCC(CCC)(C#C)N.Cl
Structure:
CAS RN: 61800-50-8
CAS Name: N2,N3,N3-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
OPENEYE Name: N2,N3,N3-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
IUPAC Name: 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SYSTEMATIC NAME: N2,N3,N3-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
MOLECULAR FORMULA: C15H24N2O2
MOLECULAR WEIGHT: 264.36326
SMILES: CCNC(=O)C1C2CC(C1C(=O)N(CC)CC)C=C2
Structure:
CAS RN: 61796-83-6
CAS Name: N-[2-hydroxy-3-(1-oxodecylamino)propyl]decanamide
OPENEYE Name: N-[3-(decanoylamino)-2-hydroxy-propyl]decanamide
IUPAC Name: N-[3-(decanoylamino)-2-hydroxypropyl]decanamide
SYSTEMATIC NAME: N-[3-(decanoylamino)-2-oxidanyl-propyl]decanamide
MOLECULAR FORMULA: C23H46N2O3
MOLECULAR WEIGHT: 398.62294
SMILES: CCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCC)O
Structure:
CAS RN: 61779-11-1
CAS Name: 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: 2-[4-(methylamino)phenoxy]-N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
IUPAC Name: 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(methylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C19H21F3N2O2
MOLECULAR WEIGHT: 366.37745
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)COC2=CC=C(C=C2)NC
Structure:
CAS RN: 61775-27-7
CAS Name: 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
OPENEYE Name: 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
IUPAC Name: 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
MOLECULAR FORMULA: C26H22O2
MOLECULAR WEIGHT: 366.45168
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC3=CC(=CC=C3)OC4=CC=CC=C4
Structure:
CAS RN: 61772-63-2
CAS Name: (2R)-2-amino-3-mercaptopropanoic acid [oxo(propylamino)methyl] ester
OPENEYE Name: propylcarbamoyl (2R)-2-amino-3-sulfanyl-propanoate
IUPAC Name: propylcarbamoyl (2R)-2-amino-3-sulfanylpropanoate
SYSTEMATIC NAME: propylcarbamoyl (2R)-2-azanyl-3-sulfanyl-propanoate
MOLECULAR FORMULA: C7H14N2O3S
MOLECULAR WEIGHT: 206.26266
SMILES: CCCNC(=O)OC(=O)[C@H](CS)N
Structure:
CAS RN: 61772-61-0
CAS Name: (2R)-2-amino-3-mercaptopropanoic acid [(dipropylamino)-oxomethyl] ester
OPENEYE Name: dipropylcarbamoyl (2R)-2-amino-3-sulfanyl-propanoate
IUPAC Name: dipropylcarbamoyl (2R)-2-amino-3-sulfanylpropanoate
SYSTEMATIC NAME: dipropylcarbamoyl (2R)-2-azanyl-3-sulfanyl-propanoate
MOLECULAR FORMULA: C10H20N2O3S
MOLECULAR WEIGHT: 248.3424
SMILES: CCCN(CCC)C(=O)OC(=O)[C@H](CS)N
Structure:
CAS RN: 61762-39-8
CAS Name: N-(2-aminoethyl)tetradecanamide
OPENEYE Name: N-(2-aminoethyl)tetradecanamide
IUPAC Name: N-(2-aminoethyl)tetradecanamide
SYSTEMATIC NAME: N-(2-azanylethyl)tetradecanamide
MOLECULAR FORMULA: C16H34N2O
MOLECULAR WEIGHT: 270.45396
SMILES: CCCCCCCCCCCCCC(=O)NCCN
Structure:
CAS RN: 61749-04-0
CAS Name: 2-[4-(hexylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: 2-[4-(hexylamino)phenoxy]-N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
IUPAC Name: 2-[4-(hexylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(hexylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C24H31F3N2O2
MOLECULAR WEIGHT: 436.51035
SMILES: CCCCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 61749-03-9
CAS Name: 2-[4-(2-methylpropylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: 2-[4-(isobutylamino)phenoxy]-N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
IUPAC Name: 2-[4-(2-methylpropylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(2-methylpropylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C22H27F3N2O2
MOLECULAR WEIGHT: 408.45719
SMILES: CC(C)CNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 61749-02-8
CAS Name: 2-[4-(butylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: 2-[4-(butylamino)phenoxy]-N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
IUPAC Name: 2-[4-(butylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(butylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C22H27F3N2O2
MOLECULAR WEIGHT: 408.45719
SMILES: CCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 61749-01-7
CAS Name: 2-[4-(propylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-2-[4-(propylamino)phenoxy]acetamide
IUPAC Name: 2-[4-(propylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(propylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C21H25F3N2O2
MOLECULAR WEIGHT: 394.43061
SMILES: CCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 61748-99-0
CAS Name: 2-[4-(pentylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-2-[4-(pentylamino)phenoxy]acetamide
IUPAC Name: 2-[4-(pentylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(pentylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C23H29F3N2O2
MOLECULAR WEIGHT: 422.48377
SMILES: CCCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 61745-74-2
CAS Name: 2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
OPENEYE Name: 2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
IUPAC Name: 2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
SYSTEMATIC NAME: 2-oxidanyl-N-(1H-pyrazol-5-yl)benzamide
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=NN2)O
Structure:
CAS RN: 61734-31-4
CAS Name: 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine; oxalic acid
OPENEYE Name: 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethyl-ethanamine; oxalic acid
IUPAC Name: 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine; oxalic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethyl-ethanamine; ethanedioic acid
MOLECULAR FORMULA: C15H23ClN2O5
MOLECULAR WEIGHT: 346.80652
SMILES: CCN(CC)CCONCC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O
Structure:
CAS RN: 61727-08-0
CAS Name: 5-[(4-bromophenyl)thio]-2-(methylthio)-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-(4-bromophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-(4-bromophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-(4-bromophenyl)sulfanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C12H9BrN2O2S2
MOLECULAR WEIGHT: 357.24606
SMILES: CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=C(C=C2)Br
Structure:
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