CAS RN: 15903-94-3
CAS Name: 6-phenylmethoxy-1H-indole
OPENEYE Name: 6-benzyloxy-1H-indole
IUPAC Name: 6-phenylmethoxy-1H-indole
SYSTEMATIC NAME: 6-phenylmethoxy-1H-indole
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3
Structure:
CAS RN: 17994-17-1
CAS Name: 1-[3-(2-aminoethyl)-5-hydroxy-1-indolyl]ethanone
OPENEYE Name: 1-[3-(2-aminoethyl)-5-hydroxy-indol-1-yl]ethanone
IUPAC Name: 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone
SYSTEMATIC NAME: 1-[3-(2-azanylethyl)-5-oxidanyl-indol-1-yl]ethanone
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC(=O)N1C=C(C2=C1C=CC(=C2)O)CCN
Structure:
CAS RN: 92855-65-7
CAS Name: 7-phenylmethoxy-1H-indole-3-carboxaldehyde
OPENEYE Name: 7-benzyloxy-1H-indole-3-carbaldehyde
IUPAC Name: 7-phenylmethoxy-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 7-phenylmethoxy-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3C=O
Structure:
CAS RN: 20289-27-4
CAS Name: 7-phenylmethoxy-1H-indole
OPENEYE Name: 7-benzyloxy-1H-indole
IUPAC Name: 7-phenylmethoxy-1H-indole
SYSTEMATIC NAME: 7-phenylmethoxy-1H-indole
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3
Structure:
CAS RN: 14745-84-7
CAS Name: N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine
OPENEYE Name: N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine
IUPAC Name: N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CN(C)CC1=CC=CN1
Structure:
CAS RN: 14077-73-7
CAS Name: 2,4,6-trichloro-5-nonylpyrimidine
OPENEYE Name: 2,4,6-trichloro-5-nonyl-pyrimidine
IUPAC Name: 2,4,6-trichloro-5-nonylpyrimidine
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-5-nonyl-pyrimidine
MOLECULAR FORMULA: C13H19Cl3N2
MOLECULAR WEIGHT: 309.66236
SMILES: CCCCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl
Structure:
CAS RN: 10182-68-0
CAS Name: 2,4,6-trichloro-5-prop-2-enylpyrimidine
OPENEYE Name: 5-allyl-2,4,6-trichloro-pyrimidine
IUPAC Name: 2,4,6-trichloro-5-prop-2-enylpyrimidine
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-5-prop-2-enyl-pyrimidine
MOLECULAR FORMULA: C7H5Cl3N2
MOLECULAR WEIGHT: 223.487
SMILES: C=CCC1=C(N=C(N=C1Cl)Cl)Cl
Structure:
CAS RN: 6379-69-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O5
MOLECULAR WEIGHT: 332.39086
SMILES: CC=CC(=O)OC1CC2[C@@]3(C1(C4(CC(=O)C(=CC4O2)C)C)C)CO3
Structure:
CAS RN: 41836-94-6
CAS Name: 4-chlorobenzoic acid (2,6-dichlorophenyl) ester
OPENEYE Name: (2,6-dichlorophenyl) 4-chlorobenzoate
IUPAC Name: (2,6-dichlorophenyl) 4-chlorobenzoate
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C13H7Cl3O2
MOLECULAR WEIGHT: 301.55248
SMILES: C1=CC(=C(C(=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 90841-55-7
CAS Name: 4-nitrobenzoic acid [5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-3-[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-nitrobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate
IUPAC Name: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-nitrobenzoyl)oxyoxolan-2-yl]methyl 4-nitrobenzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-nitrophenyl)carbonyloxy-oxolan-2-yl]methyl 4-nitrobenzoate
MOLECULAR FORMULA: C24H17F3N4O11
MOLECULAR WEIGHT: 594.40719
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 90841-69-3
CAS Name: 4-methylbenzoic acid [5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
IUPAC Name: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
MOLECULAR FORMULA: C26H23F3N2O7
MOLECULAR WEIGHT: 532.46523
SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C(F)(F)F)OC(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 70857-08-8
CAS Name: 4-methylbenzenesulfonic acid [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] ester
OPENEYE Name: [2,2,3,3-tetramethyl-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate
IUPAC Name: [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,2,3,3-tetramethyl-4-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C22H30O6S2
MOLECULAR WEIGHT: 454.6
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C(C)(C)COS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 81253-04-5
CAS Name: (5R)-5-ethyl-5-bicyclo[2.2.1]hept-2-enecarboxamide
OPENEYE Name: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
IUPAC Name: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC[C@]1(CC2CC1C=C2)C(=O)N
Structure:
CAS RN: 69365-84-0
CAS Name: (5R)-5-ethyl-5-bicyclo[2.2.1]hept-2-enecarboxamide
OPENEYE Name: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
IUPAC Name: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (5R)-5-ethylbicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC[C@]1(CC2CC1C=C2)C(=O)N
Structure:
CAS RN: 5424-41-9
CAS Name: (3S)-3-methyl-3-bicyclo[2.2.1]heptanecarboxylic acid
OPENEYE Name: (2S)-2-methylnorbornane-2-carboxylic acid
IUPAC Name: (3S)-3-methylbicyclo[2.2.1]heptane-3-carboxylic acid
SYSTEMATIC NAME: (3S)-3-methylbicyclo[2.2.1]heptane-3-carboxylic acid
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C[C@@]1(CC2CCC1C2)C(=O)O
Structure:
CAS RN: 5462-63-5
CAS Name: (5R)-5-methyl-5-bicyclo[2.2.1]hept-2-enecarboxamide
OPENEYE Name: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
IUPAC Name: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C[C@]1(CC2CC1C=C2)C(=O)N
Structure:
CAS RN: 51757-84-7
CAS Name: (5R)-5-methyl-5-bicyclo[2.2.1]hept-2-enecarboxamide
OPENEYE Name: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
IUPAC Name: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
SYSTEMATIC NAME: (5R)-5-methylbicyclo[2.2.1]hept-2-ene-5-carboxamide
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C[C@]1(CC2CC1C=C2)C(=O)N
Structure:
CAS RN: 6221-55-2
CAS Name: bicyclo[3.2.1]octane
OPENEYE Name: bicyclo[3.2.1]octane
IUPAC Name: bicyclo[3.2.1]octane
SYSTEMATIC NAME: bicyclo[3.2.1]octane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C1CC2CCC(C1)C2
Structure:
CAS RN: 570-73-0
CAS Name: (3R)-3-bicyclo[2.2.1]heptanecarboxamide
OPENEYE Name: (2R)-norbornane-2-carboxamide
IUPAC Name: (3R)-bicyclo[2.2.1]heptane-3-carboxamide
SYSTEMATIC NAME: (3R)-bicyclo[2.2.1]heptane-3-carboxamide
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: C1CC2CC1C[C@H]2C(=O)N
Structure:
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