Saturday, February 25, 2012

http://ChemLookup.com Compounds




CAS RN: 67019-78-7
CAS Name: carbamic acid 2-(3-methyl-2-nitro-4-imidazolyl)propan-2-yl ester
OPENEYE Name: [1-methyl-1-(3-methyl-2-nitro-imidazol-4-yl)ethyl] carbamate
IUPAC Name: 2-(3-methyl-2-nitroimidazol-4-yl)propan-2-yl carbamate
SYSTEMATIC NAME: 2-(3-methyl-2-nitro-imidazol-4-yl)propan-2-yl carbamate
MOLECULAR FORMULA: C8H12N4O4
MOLECULAR WEIGHT: 228.20528
SMILES: CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC(=O)N
Structure:

CAS RN: 67019-77-6
CAS Name: N-aminocarbamic acid 2-(3-methyl-2-nitro-4-imidazolyl)propan-2-yl ester
OPENEYE Name: [1-methyl-1-(3-methyl-2-nitro-imidazol-4-yl)ethyl] N-aminocarbamate
IUPAC Name: 2-(3-methyl-2-nitroimidazol-4-yl)propan-2-yl N-aminocarbamate
SYSTEMATIC NAME: 2-(3-methyl-2-nitro-imidazol-4-yl)propan-2-yl N-azanylcarbamate
MOLECULAR FORMULA: C8H13N5O4
MOLECULAR WEIGHT: 243.21992
SMILES: CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC(=O)NN
Structure:

CAS RN: 67013-95-0
CAS Name: (6-methyl-1-cyclohex-3-enyl)-(1-pyrrolidinyl)methanone
OPENEYE Name: (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-yl-methanone
IUPAC Name: (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CC1CC=CCC1C(=O)N2CCCC2
Structure:

CAS RN: 67011-51-2
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [3-(diethylamino)-2,2-dimethylpropyl] ester hydrochloride
OPENEYE Name: [3-(diethylamino)-2,2-dimethyl-propyl] 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: [3-(diethylamino)-2,2-dimethylpropyl] 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [3-(diethylamino)-2,2-dimethyl-propyl] 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C23H32ClNO3
MOLECULAR WEIGHT: 405.95808
SMILES: CCN(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
Structure:

CAS RN: 67011-50-1
CAS Name: [2-[3-(diethylamino)propoxy]phenyl]-diphenylmethanol hydrate dihydrobromide
OPENEYE Name: [2-[3-(diethylamino)propoxy]phenyl]-diphenyl-methanol hydrate dihydrobromide
IUPAC Name: [2-[3-(diethylamino)propoxy]phenyl]-diphenylmethanol hydrate dihydrobromide
SYSTEMATIC NAME: [2-[3-(diethylamino)propoxy]phenyl]-diphenyl-methanol hydrate dihydrobromide
MOLECULAR FORMULA: C52H66Br2N2O5
MOLECULAR WEIGHT: 958.89884
SMILES: CCN(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CCN(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.O.Br.Br
Structure:

CAS RN: 67011-24-9
CAS Name: (3-hydroxy-5-phenylphenyl)-trimethylammonium bromide
OPENEYE Name: (3-hydroxy-5-phenyl-phenyl)-trimethyl-ammonium bromide
IUPAC Name: (3-hydroxy-5-phenylphenyl)-trimethylazanium bromide
SYSTEMATIC NAME: trimethyl-(3-oxidanyl-5-phenyl-phenyl)azanium bromide
MOLECULAR FORMULA: C15H18BrNO
MOLECULAR WEIGHT: 308.21352
SMILES: C[N+](C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2)O.[Br-]
Structure:

CAS RN: 66983-02-6
CAS Name: 1-ethenoxy-6-methylheptane; 2-propenoic acid
OPENEYE Name: acrylic acid; 6-methyl-1-vinyloxy-heptane
IUPAC Name: 1-ethenoxy-6-methylheptane; prop-2-enoic acid
SYSTEMATIC NAME: 1-ethenoxy-6-methyl-heptane; prop-2-enoic acid
MOLECULAR FORMULA: C13H24O3
MOLECULAR WEIGHT: 228.32786
SMILES: CC(C)CCCCCOC=C.C=CC(=O)O
Structure:

CAS RN: 66978-26-5
CAS Name: N-[4-[3-[4-(3-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-3-methoxyphenyl]acetamide
OPENEYE Name: N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-3-methoxy-phenyl]acetamide
IUPAC Name: N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C22H28FN3O4
MOLECULAR WEIGHT: 417.473823
SMILES: CC(=O)NC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)F)O)OC
Structure:

CAS RN: 66976-51-0
CAS Name: 2-(4-morpholinyl)-N-[4-[(4-nitrophenyl)thio]phenyl]acetamide
OPENEYE Name: 2-morpholino-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
IUPAC Name: 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]ethanamide
MOLECULAR FORMULA: C18H19N3O4S
MOLECULAR WEIGHT: 373.42616
SMILES: C1COCCN1CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 66970-10-3
CAS Name: 5-butoxy-2-pyridinecarboxylic acid 1-(3-methyl-1-oxobutoxy)ethyl ester
OPENEYE Name: 1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
IUPAC Name: 1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
SYSTEMATIC NAME: 1-(3-methylbutanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)CC(C)C
Structure:

CAS RN: 66968-32-9
CAS Name: 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-ethyl-5-(2-ethyl-5-methyl-hexyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(2-ethyl-5-methyl-hexyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H26N2O3
MOLECULAR WEIGHT: 282.37854
SMILES: CCC(CCC(C)C)CC1(C(=O)NC(=O)NC1=O)CC
Structure:

CAS RN: 66968-31-8
CAS Name: 5-ethyl-5-(2-ethyl-3-methylhexyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-ethyl-5-(2-ethyl-3-methyl-hexyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-ethyl-5-(2-ethyl-3-methylhexyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(2-ethyl-3-methyl-hexyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H26N2O3
MOLECULAR WEIGHT: 282.37854
SMILES: CCCC(C)C(CC)CC1(C(=O)NC(=O)NC1=O)CC
Structure:

CAS RN: 66967-85-9
CAS Name: [2-[dimethylamino(oxo)methoxy]phenoxy]methyl-trimethylammonium chloride
OPENEYE Name: [2-(dimethylcarbamoyloxy)phenoxy]methyl-trimethyl-ammonium chloride
IUPAC Name: [2-(dimethylcarbamoyloxy)phenoxy]methyl-trimethylazanium chloride
SYSTEMATIC NAME: [2-(dimethylcarbamoyloxy)phenoxy]methyl-trimethyl-azanium chloride
MOLECULAR FORMULA: C13H21ClN2O3
MOLECULAR WEIGHT: 288.77044
SMILES: CN(C)C(=O)OC1=CC=CC=C1OC[N+](C)(C)C.[Cl-]
Structure:

CAS RN: 66967-65-5
CAS Name: ethyl-dimethyl-[3-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]ammonium; ethyl sulfate
OPENEYE Name: ethyl-dimethyl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium; ethyl sulfate
IUPAC Name: ethyl-dimethyl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium; ethyl sulfate
SYSTEMATIC NAME: ethyl-dimethyl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium; ethyl sulfate
MOLECULAR FORMULA: C20H29N3O4S2
MOLECULAR WEIGHT: 439.59196
SMILES: CC[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.CCOS(=O)(=O)[O-]
Structure:

CAS RN: 66967-63-3
CAS Name: 2-(3-acetyl-2-methyl-1-indolizinyl)propyl-but-3-ynyl-dimethylammonium; 4-methylbenzenesulfonate
OPENEYE Name: 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-but-3-ynyl-dimethyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: but-3-ynyl-[2-(3-ethanoyl-2-methyl-indolizin-1-yl)propyl]-dimethyl-azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H34N2O4S
MOLECULAR WEIGHT: 482.63486
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CCC#C)C(=O)C
Structure:

CAS RN: 66941-95-5
CAS Name: 2-[2,4,6-trioxo-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
OPENEYE Name: 2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)acetamide
IUPAC Name: 2-[3-benzyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
SYSTEMATIC NAME: 2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethanamide
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: C=CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)N)CC2=CC=CC=C2)CC=C
Structure:

CAS RN: 66941-44-4
CAS Name: dimethyl-propan-2-yl-[3-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]ammonium bromide
OPENEYE Name: isopropyl-dimethyl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)ammonium bromide
IUPAC Name: dimethyl-propan-2-yl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium bromide
SYSTEMATIC NAME: dimethyl-propan-2-yl-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium bromide
MOLECULAR FORMULA: C19H26BrN3S
MOLECULAR WEIGHT: 408.39884
SMILES: CC(C)[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.[Br-]
Structure:

CAS RN: 66937-38-0
CAS Name: 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-1-oxopentyl]-1,3-dihydroisoindole-1-carboxylic acid
OPENEYE Name: 2-[2-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-5-guanidino-pentanoyl]isoindoline-1-carboxylic acid
IUPAC Name: 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-1,3-dihydroisoindole-1-carboxylic acid
SYSTEMATIC NAME: 2-[5-[bis(azanyl)methylideneamino]-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-1,3-dihydroisoindole-1-carboxylic acid
MOLECULAR FORMULA: C27H31N5O7S
MOLECULAR WEIGHT: 569.62934
SMILES: COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N3CC4=CC=CC=C4C3C(=O)O)OC
Structure:

CAS RN: 66937-37-9
CAS Name: 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-1-oxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
OPENEYE Name: 2-[2-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-5-guanidino-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
IUPAC Name: 2-[5-(diaminomethylideneamino)-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 2-[5-[bis(azanyl)methylideneamino]-2-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C28H33N5O7S
MOLECULAR WEIGHT: 583.65592
SMILES: COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O)OC
Structure:

CAS RN: 66937-35-7
CAS Name: 4-[5-(diaminomethylideneamino)-2-[(7-methoxy-2-naphthalenyl)sulfonylamino]-1-oxopentyl]-3-morpholinecarboxylic acid
OPENEYE Name: 4-[5-guanidino-2-[(7-methoxy-2-naphthyl)sulfonylamino]pentanoyl]morpholine-3-carboxylic acid
IUPAC Name: 4-[5-(diaminomethylideneamino)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoyl]morpholine-3-carboxylic acid
SYSTEMATIC NAME: 4-[5-[bis(azanyl)methylideneamino]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]pentanoyl]morpholine-3-carboxylic acid
MOLECULAR FORMULA: C22H29N5O7S
MOLECULAR WEIGHT: 507.55996
SMILES: COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N3CCOCC3C(=O)O
Structure:

CAS RN: 66934-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: C1C[C@@H]2C3=CC=CC=C3[C@@]2(C1)O
Structure:

CAS RN: 66933-14-0
CAS Name: 5-butoxy-2-pyridinecarboxylic acid 1-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethyl ester
OPENEYE Name: 1-(3,4,5-trimethoxybenzoyl)oxyethyl 5-butoxypyridine-2-carboxylate
IUPAC Name: 1-(3,4,5-trimethoxybenzoyl)oxyethyl 5-butoxypyridine-2-carboxylate
SYSTEMATIC NAME: 1-(3,4,5-trimethoxyphenyl)carbonyloxyethyl 5-butoxypyridine-2-carboxylate
MOLECULAR FORMULA: C22H27NO8
MOLECULAR WEIGHT: 433.45168
SMILES: CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Structure:

CAS RN: 66933-12-8
CAS Name: 5-butoxy-2-pyridinecarboxylic acid 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester
OPENEYE Name: 1-(2,2-dimethylpropanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
IUPAC Name: 1-(2,2-dimethylpropanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
SYSTEMATIC NAME: 1-(2,2-dimethylpropanoyloxy)ethyl 5-butoxypyridine-2-carboxylate
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: CCCCOC1=CN=C(C=C1)C(=O)OC(C)OC(=O)C(C)(C)C
Structure:

CAS RN: 66933-10-6
CAS Name: 5-butoxy-2-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester
OPENEYE Name: (3-oxo-1H-isobenzofuran-1-yl) 5-butoxypyridine-2-carboxylate
IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 5-butoxypyridine-2-carboxylate
SYSTEMATIC NAME: (3-oxidanylidene-1H-2-benzofuran-1-yl) 5-butoxypyridine-2-carboxylate
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CCCCOC1=CN=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 66933-09-3
CAS Name: 5-butoxy-2-pyridinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl 5-butoxypyridine-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl 5-butoxypyridine-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl 5-butoxypyridine-2-carboxylate
MOLECULAR FORMULA: C16H23NO5
MOLECULAR WEIGHT: 309.35752
SMILES: CCCCOC1=CN=C(C=C1)C(=O)OCOC(=O)C(C)(C)C
Structure:

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