CAS RN: 28798-21-2
CAS Name: 4-methoxybenzoic acid [(4aS,7R,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aS,7R,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aS,7R,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aS,7R,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C19H28BrNO3
MOLECULAR WEIGHT: 398.33452
SMILES: C[N+]1(CC[C@@H]2CC[C@H](C[C@@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28798-20-1
CAS Name: 4-methoxybenzoic acid [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C19H28BrNO3
MOLECULAR WEIGHT: 398.33452
SMILES: C[N+]1(CC[C@@H]2CC[C@@H](C[C@@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28798-19-8
CAS Name: 4-methoxybenzoic acid [(4aS,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aS,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aS,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aS,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C20H30BrNO3
MOLECULAR WEIGHT: 412.3611
SMILES: CC[N+]1(CC[C@@H]2CC[C@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28798-18-7
CAS Name: 4-methoxybenzoic acid [(4aS,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aS,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aS,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aS,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C20H30BrNO3
MOLECULAR WEIGHT: 412.3611
SMILES: CC[N+]1(CC[C@@H]2CC[C@@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28798-17-6
CAS Name: 4-methoxybenzoic acid [(4aR,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aR,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aR,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aR,7S,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C20H30BrNO3
MOLECULAR WEIGHT: 412.3611
SMILES: CC[N+]1(CC[C@H]2CC[C@@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28798-16-5
CAS Name: 4-methoxybenzoic acid [(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] ester bromide
OPENEYE Name: [(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
IUPAC Name: [(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
SYSTEMATIC NAME: [(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate bromide
MOLECULAR FORMULA: C20H30BrNO3
MOLECULAR WEIGHT: 412.3611
SMILES: CC[N+]1(CC[C@H]2CC[C@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
Structure:
CAS RN: 28785-72-0
CAS Name: 1,4,5-trihydroxy-7-methoxynaphthalene-2,3-dione
OPENEYE Name: 1,4,5-trihydroxy-7-methoxy-naphthalene-2,3-dione
IUPAC Name: 1,4,5-trihydroxy-7-methoxynaphthalene-2,3-dione
SYSTEMATIC NAME: 7-methoxy-1,4,5-tris(oxidanyl)naphthalene-2,3-dione
MOLECULAR FORMULA: C11H8O6
MOLECULAR WEIGHT: 236.17762
SMILES: COC1=CC2=C(C(=O)C(=O)C(=C2C(=C1)O)O)O
Structure:
CAS RN: 28783-42-8
CAS Name: thieno[3,2-c]pyridine hydrochloride
OPENEYE Name: thieno[3,2-c]pyridine hydrochloride
IUPAC Name: thieno[3,2-c]pyridine hydrochloride
SYSTEMATIC NAME: thieno[3,2-c]pyridine hydrochloride
MOLECULAR FORMULA: C7H6ClNS
MOLECULAR WEIGHT: 171.64724
SMILES: C1=CN=CC2=C1SC=C2.Cl
Structure:
CAS RN: 28783-40-6
CAS Name: thieno[2,3-c]pyridine hydrochloride
OPENEYE Name: thieno[2,3-c]pyridine hydrochloride
IUPAC Name: thieno[2,3-c]pyridine hydrochloride
SYSTEMATIC NAME: thieno[2,3-c]pyridine hydrochloride
MOLECULAR FORMULA: C7H6ClNS
MOLECULAR WEIGHT: 171.64724
SMILES: C1=CN=CC2=C1C=CS2.Cl
Structure:
CAS RN: 28763-24-8
CAS Name: 5-(chloromethyl)-1,3-oxathiolane-2-thione
OPENEYE Name: 5-(chloromethyl)-1,3-oxathiolane-2-thione
IUPAC Name: 5-(chloromethyl)-1,3-oxathiolane-2-thione
SYSTEMATIC NAME: 5-(chloromethyl)-1,3-oxathiolane-2-thione
MOLECULAR FORMULA: C4H5ClOS2
MOLECULAR WEIGHT: 168.6649
SMILES: C1C(OC(=S)S1)CCl
Structure:
CAS RN: 28760-34-1
CAS Name: 2-propenoic acid; tetrachloromethane
OPENEYE Name: acrylic acid; carbon tetrachloride
IUPAC Name: prop-2-enoic acid; tetrachloromethane
SYSTEMATIC NAME: prop-2-enoic acid; tetrakis(chloranyl)methane
MOLECULAR FORMULA: C4H4Cl4O2
MOLECULAR WEIGHT: 225.88536
SMILES: C=CC(=O)O.C(Cl)(Cl)(Cl)Cl
Structure:
CAS RN: 28755-10-4
CAS Name: N-[anilino(oxo)methyl]-3-ethyl-5-methyl-2-oxo-5-propan-2-yl-3-oxolanecarboxamide
OPENEYE Name: 3-ethyl-5-isopropyl-5-methyl-2-oxo-N-(phenylcarbamoyl)tetrahydrofuran-3-carboxamide
IUPAC Name: 3-ethyl-5-methyl-2-oxo-N-(phenylcarbamoyl)-5-propan-2-yloxolane-3-carboxamide
SYSTEMATIC NAME: 3-ethyl-5-methyl-2-oxidanylidene-N-(phenylcarbamoyl)-5-propan-2-yl-oxolane-3-carboxamide
MOLECULAR FORMULA: C18H24N2O4
MOLECULAR WEIGHT: 332.39416
SMILES: CCC1(CC(OC1=O)(C)C(C)C)C(=O)NC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 28748-82-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14BrClN2
MOLECULAR WEIGHT: 361.66346
SMILES: C1CN2C=C(C3=C2C(=CC=C3)C(=N1)C4=CC=CC=C4)Cl.Br
Structure:
CAS RN: 28748-81-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: C1C(=O)N2C=CC3=C2C(=CC=C3)C(N1)C4=CC=CC=C4
Structure:
CAS RN: 28748-78-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12N2O
MOLECULAR WEIGHT: 260.28998
SMILES: C1C(=O)N2C=CC3=C2C(=CC=C3)C(=N1)C4=CC=CC=C4
Structure:
CAS RN: 28748-77-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: C1CC2=C3C(=C1)C(=O)NC=C(N3C=CC2)C4=CC=CC=C4
Structure:
CAS RN: 28748-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13N3O3
MOLECULAR WEIGHT: 307.30342
SMILES: C1CN2C(=O)CN=C(C3=CC(=CC1=C32)[N+](=O)[O-])C4=CC=CC=C4
Structure:
CAS RN: 28748-73-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15ClN2O
MOLECULAR WEIGHT: 298.7668
SMILES: C1CN2C(CC(=O)NC3=C2C1=CC(=C3)Cl)C4=CC=CC=C4
Structure:
CAS RN: 28745-05-3
CAS Name: 2-(4-cyclohexyl-1-cyclohexenyl)-N-hydroxybutanamide
OPENEYE Name: 2-(4-cyclohexylcyclohexen-1-yl)butanehydroxamic acid
IUPAC Name: 2-(4-cyclohexylcyclohexen-1-yl)-N-hydroxybutanamide
SYSTEMATIC NAME: 2-(4-cyclohexylcyclohexen-1-yl)-N-oxidanyl-butanamide
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CCC(C1=CCC(CC1)C2CCCCC2)C(=O)NO
Structure:
CAS RN: 28745-04-2
CAS Name: 2-[4-(1-methylcyclohexyl)-1-cyclohexenyl]propanoic acid
OPENEYE Name: 2-[4-(1-methylcyclohexyl)cyclohexen-1-yl]propanoic acid
IUPAC Name: 2-[4-(1-methylcyclohexyl)cyclohexen-1-yl]propanoic acid
SYSTEMATIC NAME: 2-[4-(1-methylcyclohexyl)cyclohexen-1-yl]propanoic acid
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CC(C1=CCC(CC1)C2(CCCCC2)C)C(=O)O
Structure:
CAS RN: 28744-51-6
CAS Name: 2-(1-piperidinylmethylidene)indene-1,3-dione
OPENEYE Name: 2-(1-piperidylmethylene)indane-1,3-dione
IUPAC Name: 2-(piperidin-1-ylmethylidene)indene-1,3-dione
SYSTEMATIC NAME: 2-(piperidin-1-ylmethylidene)indene-1,3-dione
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: C1CCN(CC1)C=C2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 28740-99-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18Cl2N2
MOLECULAR WEIGHT: 321.24422
SMILES: C1CN2CCC3=CC(=CC(=C32)NC1C4=CC=CC=C4)Cl.Cl
Structure:
CAS RN: 28740-98-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13ClN2O
MOLECULAR WEIGHT: 296.75092
SMILES: C1CN2C(=O)CC(=NC3=C2C1=CC(=C3)Cl)C4=CC=CC=C4
Structure:
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