Saturday, February 25, 2012

http://ChemLookup.com Compounds




CAS RN: 67268-59-1
CAS Name: 7-[4-(dimethylamino)but-2-ynoxy]-4-methyl-1-benzopyran-2-one hydrochloride
OPENEYE Name: 7-[4-(dimethylamino)but-2-ynoxy]-4-methyl-chromen-2-one hydrochloride
IUPAC Name: 7-[4-(dimethylamino)but-2-ynoxy]-4-methylchromen-2-one hydrochloride
SYSTEMATIC NAME: 7-[4-(dimethylamino)but-2-ynoxy]-4-methyl-chromen-2-one hydrochloride
MOLECULAR FORMULA: C16H18ClNO3
MOLECULAR WEIGHT: 307.77202
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCN(C)C.Cl
Structure:

CAS RN: 67268-55-7
CAS Name: 4-methyl-7-[4-(4-morpholinyl)but-2-ynoxy]-1-benzopyran-2-one hydrochloride
OPENEYE Name: 4-methyl-7-(4-morpholinobut-2-ynoxy)chromen-2-one hydrochloride
IUPAC Name: 4-methyl-7-(4-morpholin-4-ylbut-2-ynoxy)chromen-2-one hydrochloride
SYSTEMATIC NAME: 4-methyl-7-(4-morpholin-4-ylbut-2-ynoxy)chromen-2-one hydrochloride
MOLECULAR FORMULA: C18H20ClNO4
MOLECULAR WEIGHT: 349.8087
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC#CCN3CCOCC3.Cl
Structure:

CAS RN: 67268-47-7
CAS Name: 4-methyl-3-prop-2-enyl-7-prop-2-ynoxy-1-benzopyran-2-one
OPENEYE Name: 3-allyl-4-methyl-7-prop-2-ynoxy-chromen-2-one
IUPAC Name: 4-methyl-3-prop-2-enyl-7-prop-2-ynoxychromen-2-one
SYSTEMATIC NAME: 4-methyl-3-prop-2-enyl-7-prop-2-ynoxy-chromen-2-one
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC#C)CC=C
Structure:

CAS RN: 67268-46-6
CAS Name: 3-ethyl-4-methyl-7-prop-2-ynoxy-1-benzopyran-2-one
OPENEYE Name: 3-ethyl-4-methyl-7-prop-2-ynoxy-chromen-2-one
IUPAC Name: 3-ethyl-4-methyl-7-prop-2-ynoxychromen-2-one
SYSTEMATIC NAME: 3-ethyl-4-methyl-7-prop-2-ynoxy-chromen-2-one
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC#C)OC1=O)C
Structure:

CAS RN: 67268-42-2
CAS Name: 7-prop-2-ynoxy-1-benzopyran-2-one
OPENEYE Name: 7-prop-2-ynoxychromen-2-one
IUPAC Name: 7-prop-2-ynoxychromen-2-one
SYSTEMATIC NAME: 7-prop-2-ynoxychromen-2-one
MOLECULAR FORMULA: C12H8O3
MOLECULAR WEIGHT: 200.19012
SMILES: C#CCOC1=CC2=C(C=C1)C=CC(=O)O2
Structure:

CAS RN: 67267-48-5
CAS Name: 2-(butylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
OPENEYE Name: 2-(butylamino)-3,5,6-trifluoro-terephthalonitrile
IUPAC Name: 2-(butylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2-(butylamino)-3,5,6-tris(fluoranyl)benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C12H10F3N3
MOLECULAR WEIGHT: 253.22311
SMILES: CCCCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N
Structure:

CAS RN: 67266-08-4
CAS Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
OPENEYE Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
IUPAC Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SYSTEMATIC NAME: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
MOLECULAR FORMULA: C14H18N2S
MOLECULAR WEIGHT: 246.37112
SMILES: CN=C1N2CCCC[C@@H]2[C@@H](S1)C3=CC=CC=C3
Structure:

CAS RN: 67315-29-1
CAS Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
OPENEYE Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
IUPAC Name: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SYSTEMATIC NAME: (1S,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
MOLECULAR FORMULA: C14H18N2S
MOLECULAR WEIGHT: 246.37112
SMILES: CN=C1N2CCCC[C@@H]2[C@@H](S1)C3=CC=CC=C3
Structure:

CAS RN: 67266-06-2
CAS Name: (1R,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
OPENEYE Name: (1R,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydrothiazolo[3,4-a]pyridin-3-imine
IUPAC Name: (1R,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SYSTEMATIC NAME: (1R,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
MOLECULAR FORMULA: C14H18N2S
MOLECULAR WEIGHT: 246.37112
SMILES: CN=C1N2CCCC[C@@H]2[C@H](S1)C3=CC=CC=C3
Structure:

CAS RN: 67264-41-9
CAS Name: 3-[[dimethyl-[3-(trimethylammonio)propyl]silyl]methyl-dimethylsilyl]propyl-trimethylammonium diiodide
OPENEYE Name: 3-[[dimethyl-[3-(trimethylammonio)propyl]silyl]methyl-dimethyl-silyl]propyl-trimethyl-ammonium diiodide
IUPAC Name: 3-[[dimethyl-[3-(trimethylazaniumyl)propyl]silyl]methyl-dimethylsilyl]propyl-trimethylazanium diiodide
SYSTEMATIC NAME: 3-[[dimethyl-[3-(trimethylazaniumyl)propyl]silyl]methyl-dimethyl-silyl]propyl-trimethyl-azanium diiodide
MOLECULAR FORMULA: C17H44I2N2Si2
MOLECULAR WEIGHT: 586.5246
SMILES: C[N+](C)(C)CCC[Si](C)(C)C[Si](C)(C)CCC[N+](C)(C)C.[I-].[I-]
Structure:

CAS RN: 67262-82-2
CAS Name: N-(2,6-dimethylphenyl)-2-(2-methoxypropylamino)propanamide; perchloric acid
OPENEYE Name: N-(2,6-dimethylphenyl)-2-(2-methoxypropylamino)propanamide; perchloric acid
IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-methoxypropylamino)propanamide; perchloric acid
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-(2-methoxypropylamino)propanamide; perchloric acid
MOLECULAR FORMULA: C15H25ClN2O6
MOLECULAR WEIGHT: 364.8218
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C(C)NCC(C)OC.OCl(=O)(=O)=O
Structure:

CAS RN: 67262-80-0
CAS Name: N-(2,6-dimethylphenyl)-2-(2-methoxyethylamino)propanamide
OPENEYE Name: N-(2,6-dimethylphenyl)-2-(2-methoxyethylamino)propanamide
IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-methoxyethylamino)propanamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-(2-methoxyethylamino)propanamide
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C(C)NCCOC
Structure:

CAS RN: 67262-75-3
CAS Name: 2-(2-methoxyethylamino)-N-(2-propan-2-ylphenyl)propanamide hydrochloride
OPENEYE Name: N-(2-isopropylphenyl)-2-(2-methoxyethylamino)propanamide hydrochloride
IUPAC Name: 2-(2-methoxyethylamino)-N-(2-propan-2-ylphenyl)propanamide hydrochloride
SYSTEMATIC NAME: 2-(2-methoxyethylamino)-N-(2-propan-2-ylphenyl)propanamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: CC(C)C1=CC=CC=C1NC(=O)C(C)NCCOC.Cl
Structure:

CAS RN: 67262-74-2
CAS Name: 2-(2-methoxyethylamino)-N-[2-(1-methylethenyl)phenyl]propanamide; oxalic acid
OPENEYE Name: N-(2-isopropenylphenyl)-2-(2-methoxyethylamino)propanamide; oxalic acid
IUPAC Name: 2-(2-methoxyethylamino)-N-(2-prop-1-en-2-ylphenyl)propanamide; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 2-(2-methoxyethylamino)-N-(2-prop-1-en-2-ylphenyl)propanamide
MOLECULAR FORMULA: C17H24N2O6
MOLECULAR WEIGHT: 352.38226
SMILES: CC(C(=O)NC1=CC=CC=C1C(=C)C)NCCOC.C(=O)(C(=O)O)O
Structure:

CAS RN: 67262-66-2
CAS Name: N-(2-ethylphenyl)-2-(2-methoxypropylamino)propanamide hydrochloride
OPENEYE Name: N-(2-ethylphenyl)-2-(2-methoxypropylamino)propanamide hydrochloride
IUPAC Name: N-(2-ethylphenyl)-2-(2-methoxypropylamino)propanamide hydrochloride
SYSTEMATIC NAME: N-(2-ethylphenyl)-2-(2-methoxypropylamino)propanamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: CCC1=CC=CC=C1NC(=O)C(C)NCC(C)OC.Cl
Structure:

CAS RN: 67262-65-1
CAS Name: 2-(2-ethoxyethylamino)-N-(2-ethylphenyl)propanamide
OPENEYE Name: 2-(2-ethoxyethylamino)-N-(2-ethylphenyl)propanamide
IUPAC Name: 2-(2-ethoxyethylamino)-N-(2-ethylphenyl)propanamide
SYSTEMATIC NAME: 2-(2-ethoxyethylamino)-N-(2-ethylphenyl)propanamide
MOLECULAR FORMULA: C15H24N2O2
MOLECULAR WEIGHT: 264.36326
SMILES: CCC1=CC=CC=C1NC(=O)C(C)NCCOCC
Structure:

CAS RN: 67262-63-9
CAS Name: 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
OPENEYE Name: 2-(2-methoxyethylamino)-N-methyl-N-(o-tolyl)propanamide
IUPAC Name: 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: 2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC1=CC=CC=C1N(C)C(=O)C(C)NCCOC
Structure:

CAS RN: 67262-62-8
CAS Name: 2-(2-ethoxyethylamino)-N-(2-methylphenyl)propanamide
OPENEYE Name: 2-(2-ethoxyethylamino)-N-(o-tolyl)propanamide
IUPAC Name: 2-(2-ethoxyethylamino)-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: 2-(2-ethoxyethylamino)-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CCOCCNC(C)C(=O)NC1=CC=CC=C1C
Structure:

CAS RN: 67262-61-7
CAS Name: 2-(2-methoxyethylamino)-N-(2-methylphenyl)propanamide
OPENEYE Name: 2-(2-methoxyethylamino)-N-(o-tolyl)propanamide
IUPAC Name: 2-(2-methoxyethylamino)-N-(2-methylphenyl)propanamide
SYSTEMATIC NAME: 2-(2-methoxyethylamino)-N-(2-methylphenyl)propanamide
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CC1=CC=CC=C1NC(=O)C(C)NCCOC
Structure:

CAS RN: 67262-60-6
CAS Name: 2-(2-methoxyethylamino)-N-phenylpropanamide
OPENEYE Name: 2-(2-methoxyethylamino)-N-phenyl-propanamide
IUPAC Name: 2-(2-methoxyethylamino)-N-phenylpropanamide
SYSTEMATIC NAME: 2-(2-methoxyethylamino)-N-phenyl-propanamide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C(=O)NC1=CC=CC=C1)NCCOC
Structure:

CAS RN: 67261-90-9
CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-2-(2-chlorophenyl)-1,5-dimethyl-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2S,4S,5R)-5-acetoxy-2-(2-chlorophenyl)-1,5-dimethyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2S,4S,5R)-5-acetyloxy-2-(2-chlorophenyl)-1,5-dimethylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,4S,5R)-5-acetyloxy-2-(2-chlorophenyl)-1,5-dimethyl-piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C17H23Cl2NO4
MOLECULAR WEIGHT: 376.27482
SMILES: CC(=O)O[C@H]1C[C@H](N(C[C@@]1(C)OC(=O)C)C)C2=CC=CC=C2Cl.Cl
Structure:

CAS RN: 67261-89-6
CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2S,4S,5R)-5-acetoxy-1,5-dimethyl-2-(p-tolyl)-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C18H26ClNO4
MOLECULAR WEIGHT: 355.85634
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@@H]([C@](CN2C)(C)OC(=O)C)OC(=O)C.Cl
Structure:

CAS RN: 67261-88-5
CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenyl-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2S,4S,5R)-5-acetoxy-1,5-dimethyl-2-phenyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenyl-piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C17H24ClNO4
MOLECULAR WEIGHT: 341.82976
SMILES: CC(=O)O[C@H]1C[C@H](N(C[C@@]1(C)OC(=O)C)C)C2=CC=CC=C2.Cl
Structure:

CAS RN: 67261-87-4
CAS Name: (3S,4S,6S)-3-methyl-6-phenyl-1-(phenylmethyl)piperidine-3,4-diol hydrochloride
OPENEYE Name: (3S,4S,6S)-1-benzyl-3-methyl-6-phenyl-piperidine-3,4-diol hydrochloride
IUPAC Name: (3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol hydrochloride
SYSTEMATIC NAME: (3S,4S,6S)-3-methyl-6-phenyl-1-(phenylmethyl)piperidine-3,4-diol hydrochloride
MOLECULAR FORMULA: C19H24ClNO2
MOLECULAR WEIGHT: 333.85236
SMILES: C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=CC=C2)CC3=CC=CC=C3)O.Cl
Structure:

CAS RN: 67261-69-2
CAS Name: acetic acid [(2R,4S,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2R,4S,5R)-5-acetoxy-1-benzyl-5-methyl-2-phenyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2R,4S,5R)-5-acetyloxy-1-benzyl-5-methyl-2-phenylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2R,4S,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO4
MOLECULAR WEIGHT: 417.92572
SMILES: CC(=O)O[C@H]1C[C@@H](N(C[C@@]1(C)OC(=O)C)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:

CAS RN: 67261-68-1
CAS Name: acetic acid [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenyl-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2R,4S,5R)-5-acetoxy-1,5-dimethyl-2-phenyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenyl-piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C17H24ClNO4
MOLECULAR WEIGHT: 341.82976
SMILES: CC(=O)O[C@H]1C[C@@H](N(C[C@@]1(C)OC(=O)C)C)C2=CC=CC=C2.Cl
Structure:

CAS RN: 67261-67-0
CAS Name: acetic acid [(2R,4R,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2R,4R,5R)-5-acetoxy-1-benzyl-5-methyl-2-phenyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2R,4R,5R)-5-acetyloxy-1-benzyl-5-methyl-2-phenylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2R,4R,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO4
MOLECULAR WEIGHT: 417.92572
SMILES: CC(=O)O[C@@H]1C[C@@H](N(C[C@@]1(C)OC(=O)C)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:

CAS RN: 67261-62-5
CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2S,4S,5R)-5-acetoxy-1-benzyl-5-methyl-2-phenyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2S,4S,5R)-5-acetyloxy-1-benzyl-5-methyl-2-phenylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,4S,5R)-5-acetyloxy-5-methyl-2-phenyl-1-(phenylmethyl)piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO4
MOLECULAR WEIGHT: 417.92572
SMILES: CC(=O)O[C@H]1C[C@H](N(C[C@@]1(C)OC(=O)C)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:

CAS RN: 67261-60-3
CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-2-(2-fluorophenyl)-1,5-dimethyl-4-piperidinyl] ester hydrochloride
OPENEYE Name: [(2S,4S,5R)-5-acetoxy-2-(2-fluorophenyl)-1,5-dimethyl-4-piperidyl] acetate hydrochloride
IUPAC Name: [(2S,4S,5R)-5-acetyloxy-2-(2-fluorophenyl)-1,5-dimethylpiperidin-4-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,4S,5R)-5-acetyloxy-2-(2-fluorophenyl)-1,5-dimethyl-piperidin-4-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C17H23ClFNO4
MOLECULAR WEIGHT: 359.820223
SMILES: CC(=O)O[C@H]1C[C@H](N(C[C@@]1(C)OC(=O)C)C)C2=CC=CC=C2F.Cl
Structure:

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