CAS RN: 84370-82-1
CAS Name: 2-hydroxybenzoic acid 3-[(2-hydroxyphenyl)-oxomethoxy]propyl ester
OPENEYE Name: 3-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate
IUPAC Name: 3-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)carbonyloxypropyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: C1=CC=C(C(=C1)C(=O)OCCCOC(=O)C2=CC=CC=C2O)O
Structure:
CAS RN: 84012-54-4
CAS Name: 2-(4-morpholinylmethyl)-1,2-benzothiazol-3-one
OPENEYE Name: 2-(morpholinomethyl)-1,2-benzothiazol-3-one
IUPAC Name: 2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: C1COCCN1CN2C(=O)C3=CC=CC=C3S2
Structure:
CAS RN: 53786-28-0
CAS Name: 6-chloro-3-(4-piperidin-1-iumyl)-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one
IUPAC Name: 6-chloro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one
SYSTEMATIC NAME: 6-chloranyl-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one
MOLECULAR FORMULA: C12H15ClN3O+
MOLECULAR WEIGHT: 252.72
SMILES: C1C[NH2+]CCC1N2C3=C(C=C(C=C3)Cl)NC2=O
Structure:
CAS RN: 3780-33-4
CAS Name: 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2,2-dimethylchroman-4-one
IUPAC Name: 2,2-dimethyl-3H-chromen-4-one
SYSTEMATIC NAME: 2,2-dimethyl-3H-chromen-4-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC1(CC(=O)C2=CC=CC=C2O1)C
Structure:
CAS RN: 15485-80-0
CAS Name: 7-hydroxy-3-(4-nitrophenyl)-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(4-nitrophenyl)chromen-4-one
IUPAC Name: 7-hydroxy-3-(4-nitrophenyl)chromen-4-one
SYSTEMATIC NAME: 3-(4-nitrophenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9NO5
MOLECULAR WEIGHT: 283.23566
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)[N+](=O)[O-]
Structure:
CAS RN: 436096-82-1
CAS Name: [(2R)-2-oxolanyl]methyl-[(4-propan-2-ylphenyl)methyl]ammonium
OPENEYE Name: (4-isopropylphenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium
IUPAC Name: [(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium
SYSTEMATIC NAME: [(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium
MOLECULAR FORMULA: C15H24NO+
MOLECULAR WEIGHT: 234.35716
SMILES: CC(C)C1=CC=C(C=C1)C[NH2+]C[C@H]2CCCO2
Structure:
CAS RN: 436096-82-1
CAS Name: [(2S)-2-oxolanyl]methyl-[(4-propan-2-ylphenyl)methyl]ammonium
OPENEYE Name: (4-isopropylphenyl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium
IUPAC Name: [(2S)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium
SYSTEMATIC NAME: [(2S)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]azanium
MOLECULAR FORMULA: C15H24NO+
MOLECULAR WEIGHT: 234.35716
SMILES: CC(C)C1=CC=C(C=C1)C[NH2+]C[C@@H]2CCCO2
Structure:
CAS RN: 436099-67-1
CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonylpiperazin-4-ium
OPENEYE Name: 1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium
IUPAC Name: 1-(2-methoxy-5-methylphenyl)sulfonylpiperazin-4-ium
SYSTEMATIC NAME: 1-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-4-ium
MOLECULAR FORMULA: C12H19N2O3S+
MOLECULAR WEIGHT: 271.35586
SMILES: CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH2+]CC2
Structure:
CAS RN: 436088-47-0
CAS Name: 4-ethoxy-3-(1-piperidin-1-iumylmethyl)benzaldehyde
OPENEYE Name: 4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)benzaldehyde
IUPAC Name: 4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)benzaldehyde
SYSTEMATIC NAME: 4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)benzaldehyde
MOLECULAR FORMULA: C15H22NO2+
MOLECULAR WEIGHT: 248.34068
SMILES: CCOC1=C(C=C(C=C1)C=O)C[NH+]2CCCCC2
Structure:
CAS RN: 436088-51-6
CAS Name: 2-[[2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-1-oxoethyl]amino]acetate
OPENEYE Name: 2-[[2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetyl]amino]acetate
IUPAC Name: 2-[[2-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetyl]amino]acetate
SYSTEMATIC NAME: 2-[2-[(3aS,6aR)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]ethanoylamino]ethanoate
MOLECULAR FORMULA: C8H10N5O5-
MOLECULAR WEIGHT: 256.1955
SMILES: C(C(=O)[O-])NC(=O)CN1[C@H]2[C@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 436088-51-6
CAS Name: 2-[[2-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-1-oxoethyl]amino]acetate
OPENEYE Name: 2-[[2-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetyl]amino]acetate
IUPAC Name: 2-[[2-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]acetyl]amino]acetate
SYSTEMATIC NAME: 2-[2-[(3aR,6aR)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]ethanoylamino]ethanoate
MOLECULAR FORMULA: C8H10N5O5-
MOLECULAR WEIGHT: 256.1955
SMILES: C(C(=O)[O-])NC(=O)CN1[C@@H]2[C@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 436088-49-2
CAS Name: 5-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylate
OPENEYE Name: 5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
IUPAC Name: 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SYSTEMATIC NAME: 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C11H9F3N3O2-
MOLECULAR WEIGHT: 272.20327
SMILES: CC(C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)[O-]
Structure:
CAS RN: 116705-02-3
CAS Name: 3-cyano-7-methoxy-2-quinolinethiolate
OPENEYE Name: 3-cyano-7-methoxy-quinoline-2-thiolate
IUPAC Name: 3-cyano-7-methoxyquinoline-2-thiolate
SYSTEMATIC NAME: 3-cyano-7-methoxy-quinoline-2-thiolate
MOLECULAR FORMULA: C11H7N2OS-
MOLECULAR WEIGHT: 215.25108
SMILES: COC1=CC2=C(C=C1)C=C(C(=N2)[S-])C#N
Structure:
CAS RN: 436088-55-0
CAS Name: (1S,6S)-4-methyl-6-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C17H17N2O3S-
MOLECULAR WEIGHT: 329.39348
SMILES: CC1=CC[C@@H]([C@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)[O-]
Structure:
CAS RN: 436088-55-0
CAS Name: (1S,6R)-4-methyl-6-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C17H17N2O3S-
MOLECULAR WEIGHT: 329.39348
SMILES: CC1=CC[C@@H]([C@@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)[O-]
Structure:
CAS RN: 436088-55-0
CAS Name: (1R,6S)-4-methyl-6-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6S)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C17H17N2O3S-
MOLECULAR WEIGHT: 329.39348
SMILES: CC1=CC[C@H]([C@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)[O-]
Structure:
CAS RN: 436088-55-0
CAS Name: (1R,6R)-4-methyl-6-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6R)-4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C17H17N2O3S-
MOLECULAR WEIGHT: 329.39348
SMILES: CC1=CC[C@H]([C@@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)[O-]
Structure:
CAS RN: 435342-23-7
CAS Name: 3-methyl-5-(4-morpholin-4-iumylmethyl)-2-furancarboxylate
OPENEYE Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
IUPAC Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
SYSTEMATIC NAME: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: CC1=C(OC(=C1)C[NH+]2CCOCC2)C(=O)[O-]
Structure:
CAS RN: 105838-50-4
CAS Name: 2-chloro-N-[(1R,3R,4S)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]acetamide
OPENEYE Name: 2-chloro-N-[(1S,2R,4R)-2,3,3-trimethylnorbornan-2-yl]acetamide
IUPAC Name: 2-chloro-N-[(1R,3R,4S)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[(1R,3R,4S)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]ethanamide
MOLECULAR FORMULA: C12H20ClNO
MOLECULAR WEIGHT: 229.7463
SMILES: C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC(=O)CCl
Structure:
CAS RN: 916423-12-6
CAS Name: 3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 3-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C12H12FN3
MOLECULAR WEIGHT: 217.242183
SMILES: C1CNCC2=C1NN=C2C3=CC=CC=C3F
Structure:
CAS RN: 436090-53-8
CAS Name: N-(4-amino-2-methylphenyl)-2-(1-piperidin-1-iumyl)acetamide
OPENEYE Name: N-(4-amino-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide
IUPAC Name: N-(4-amino-2-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
SYSTEMATIC NAME: N-(4-azanyl-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide
MOLECULAR FORMULA: C14H22N3O+
MOLECULAR WEIGHT: 248.34398
SMILES: CC1=C(C=CC(=C1)N)NC(=O)C[NH+]2CCCCC2
Structure:
No comments:
Post a Comment