Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 59110-15-5
CAS Name: 2,3-dibromo-2-butenoic acid
OPENEYE Name: 2,3-dibromobut-2-enoic acid
IUPAC Name: 2,3-dibromobut-2-enoic acid
SYSTEMATIC NAME: 2,3-bis(bromanyl)but-2-enoic acid
MOLECULAR FORMULA: C4H4Br2O2
MOLECULAR WEIGHT: 243.88136
SMILES: CC(=C(C(=O)O)Br)Br
Structure:

CAS RN: 1128-10-5
CAS Name: cyclobutene-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl cyclobutene-1,2-dicarboxylate
IUPAC Name: dimethyl cyclobutene-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl cyclobutene-1,2-dicarboxylate
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: COC(=O)C1=C(CC1)C(=O)OC
Structure:

CAS RN: 36370-27-1
CAS Name: 4-methylbenzenesulfonic acid [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl ester
OPENEYE Name: [1-(benzyloxymethyl)-2-oxo-cyclohexyl]methyl 4-methylbenzenesulfonate
IUPAC Name: [2-oxo-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-oxidanylidene-1-(phenylmethoxymethyl)cyclohexyl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C22H26O5S
MOLECULAR WEIGHT: 402.50384
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)COCC3=CC=CC=C3
Structure:

CAS RN: 36370-29-3
CAS Name: 2-oxo-1-(phenylmethoxymethyl)-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(benzyloxymethyl)-2-oxo-cyclohexanecarboxylate
IUPAC Name: ethyl 2-oxo-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C17H22O4
MOLECULAR WEIGHT: 290.35418
SMILES: CCOC(=O)C1(CCCCC1=O)COCC2=CC=CC=C2
Structure:

CAS RN: 89123-64-8
CAS Name: 2-bromo-1-cyclopropanecarboxylic acid
OPENEYE Name: 2-bromocyclopropanecarboxylic acid
IUPAC Name: 2-bromocyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 2-bromanylcyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C4H5BrO2
MOLECULAR WEIGHT: 164.9853
SMILES: C1C(C1Br)C(=O)O
Structure:

CAS RN: 31420-66-3
CAS Name: 2-ethoxycarbonyl-1-cyclopropanecarboxylic acid
OPENEYE Name: 2-ethoxycarbonylcyclopropanecarboxylic acid
IUPAC Name: 2-ethoxycarbonylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 2-ethoxycarbonylcyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: CCOC(=O)C1CC1C(=O)O
Structure:

CAS RN: 18592-80-8
CAS Name: 3,5-dinitrobenzoic acid (1-phenylcyclobutyl) ester
OPENEYE Name: (1-phenylcyclobutyl) 3,5-dinitrobenzoate
IUPAC Name: (1-phenylcyclobutyl) 3,5-dinitrobenzoate
SYSTEMATIC NAME: (1-phenylcyclobutyl) 3,5-dinitrobenzoate
MOLECULAR FORMULA: C17H14N2O6
MOLECULAR WEIGHT: 342.30286
SMILES: C1CC(C1)(C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 4065-80-9
CAS Name: 2-methylene-1-cyclohexanol
OPENEYE Name: 2-methylenecyclohexanol
IUPAC Name: 2-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: 2-methylidenecyclohexan-1-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C=C1CCCCC1O
Structure:

CAS RN: 59345-42-5
CAS Name: 5-(2-naphthalenyl)-5-oxopentanoic acid
OPENEYE Name: 5-(2-naphthyl)-5-oxo-pentanoic acid
IUPAC Name: 5-naphthalen-2-yl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-naphthalen-2-yl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CCCC(=O)O
Structure:

CAS RN: 72297-20-2
CAS Name: 5-[4-(4-methoxy-4-oxobutyl)-1-naphthalenyl]pentanoic acid methyl ester
OPENEYE Name: methyl 5-[4-(4-methoxy-4-oxo-butyl)-1-naphthyl]pentanoate
IUPAC Name: methyl 5-[4-(4-methoxy-4-oxobutyl)naphthalen-1-yl]pentanoate
SYSTEMATIC NAME: methyl 5-[4-(4-methoxy-4-oxidanylidene-butyl)naphthalen-1-yl]pentanoate
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: COC(=O)CCCCC1=CC=C(C2=CC=CC=C12)CCCC(=O)OC
Structure:

CAS RN: 72297-18-8
CAS Name: 5-(1-naphthalenyl)pentanoic acid ethyl ester
OPENEYE Name: ethyl 5-(1-naphthyl)pentanoate
IUPAC Name: ethyl 5-naphthalen-1-ylpentanoate
SYSTEMATIC NAME: ethyl 5-naphthalen-1-ylpentanoate
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CCOC(=O)CCCCC1=CC=CC2=CC=CC=C21
Structure:

CAS RN: 72297-23-5
CAS Name: 5-[4-(5-methoxy-5-oxopentyl)-1-naphthalenyl]pentanoic acid methyl ester
OPENEYE Name: methyl 5-[4-(5-methoxy-5-oxo-pentyl)-1-naphthyl]pentanoate
IUPAC Name: methyl 5-[4-(5-methoxy-5-oxopentyl)naphthalen-1-yl]pentanoate
SYSTEMATIC NAME: methyl 5-[4-(5-methoxy-5-oxidanylidene-pentyl)naphthalen-1-yl]pentanoate
MOLECULAR FORMULA: C22H28O4
MOLECULAR WEIGHT: 356.45532
SMILES: COC(=O)CCCCC1=CC=C(C2=CC=CC=C12)CCCCC(=O)OC
Structure:

CAS RN: 72297-22-4
CAS Name: 5-[4-(4-carboxybutyl)-1-naphthalenyl]pentanoic acid
OPENEYE Name: 5-[4-(4-carboxybutyl)-1-naphthyl]pentanoic acid
IUPAC Name: 5-[4-(4-carboxybutyl)naphthalen-1-yl]pentanoic acid
SYSTEMATIC NAME: 5-[4-(5-oxidanyl-5-oxidanylidene-pentyl)naphthalen-1-yl]pentanoic acid
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: C1=CC=C2C(=CC=C(C2=C1)CCCCC(=O)O)CCCCC(=O)O
Structure:

CAS RN: 14278-72-9
CAS Name: hydroxy-diphenyl-sulfanylidenephosphorane
OPENEYE Name: hydroxy-diphenyl-thioxo-$l^{5}-phosphane
IUPAC Name: hydroxy-diphenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: oxidanyl-diphenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H11OPS
MOLECULAR WEIGHT: 234.253901
SMILES: C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)O
Structure:

CAS RN: 85963-71-9
CAS Name: 3-(carboxymethyl)-3-methylpentanedioic acid
OPENEYE Name: 3-(carboxymethyl)-3-methyl-pentanedioic acid
IUPAC Name: 3-(carboxymethyl)-3-methylpentanedioic acid
SYSTEMATIC NAME: 3-(2-hydroxy-2-oxoethyl)-3-methyl-pentanedioic acid
MOLECULAR FORMULA: C8H12O6
MOLECULAR WEIGHT: 204.17728
SMILES: CC(CC(=O)O)(CC(=O)O)CC(=O)O
Structure:

CAS RN: 62374-50-9
CAS Name: copper ethynylbenzene
OPENEYE Name: copper ethynylbenzene
IUPAC Name: copper ethynylbenzene
SYSTEMATIC NAME: copper ethynylbenzene
MOLECULAR FORMULA: C16H10Cu
MOLECULAR WEIGHT: 265.7966
SMILES: [C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[Cu+2]
Structure:

CAS RN: 32829-04-2
CAS Name: 2-(2-phenylethenyl)benzo[c]phenanthrene
OPENEYE Name: 2-styrylbenzo[c]phenanthrene
IUPAC Name: 2-(2-phenylethenyl)benzo[c]phenanthrene
SYSTEMATIC NAME: 2-(2-phenylethenyl)benzo[c]phenanthrene
MOLECULAR FORMULA: C26H18
MOLECULAR WEIGHT: 330.42112
SMILES: C1=CC=C(C=C1)C=CC2=CC3=C(C=CC4=C3C5=CC=CC=C5C=C4)C=C2
Structure:

CAS RN: 4368-00-7
CAS Name: 5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: 5-[(3-hydroxy-4-methoxy-phenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: 5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N2)O
Structure:

CAS RN: 32372-76-2
CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenol
OPENEYE Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenol
IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenol
SYSTEMATIC NAME: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenol
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: COC1=C(C=C(C=C1)CCNCC2=CC(=CC=C2)O)OC
Structure:

CAS RN: 5164-91-0
CAS Name: 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid
OPENEYE Name: 3-(3-benzyloxy-4-methoxy-phenyl)-2-oxo-propanoic acid
IUPAC Name: 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid
SYSTEMATIC NAME: 3-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C17H16O5
MOLECULAR WEIGHT: 300.30594
SMILES: COC1=C(C=C(C=C1)CC(=O)C(=O)O)OCC2=CC=CC=C2
Structure:

CAS RN: 56113-94-1
CAS Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-propenamide
OPENEYE Name: 3-(4-benzyloxy-3-methoxy-phenyl)-N-[2-(4-benzyloxy-3-methoxy-phenyl)ethyl]prop-2-enamide
IUPAC Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]prop-2-enamide
SYSTEMATIC NAME: 3-(3-methoxy-4-phenylmethoxy-phenyl)-N-[2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]prop-2-enamide
MOLECULAR FORMULA: C33H33NO5
MOLECULAR WEIGHT: 523.61882
SMILES: COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OCC4=CC=CC=C4
Structure:

CAS RN: 36646-92-1
CAS Name: 5-[(2,2-dimethoxyethylamino)methyl]-2-methoxyphenol
OPENEYE Name: 5-[(2,2-dimethoxyethylamino)methyl]-2-methoxy-phenol
IUPAC Name: 5-[(2,2-dimethoxyethylamino)methyl]-2-methoxyphenol
SYSTEMATIC NAME: 5-[(2,2-dimethoxyethylamino)methyl]-2-methoxy-phenol
MOLECULAR FORMULA: C12H19NO4
MOLECULAR WEIGHT: 241.28356
SMILES: COC1=C(C=C(C=C1)CNCC(OC)OC)O
Structure:

CAS RN: 6392-40-1
CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
OPENEYE Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
SYSTEMATIC NAME: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)OC
Structure:

CAS RN: 59886-48-5
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H28N4O2
MOLECULAR WEIGHT: 332.44052
SMILES: CCCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCCC)N3CC3
Structure:

CAS RN: 59886-46-3
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis[2-hydroxyethyl(methyl)amino]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis[2-hydroxyethyl(methyl)amino]-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis[2-hydroxyethyl(methyl)amino]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis[2-hydroxyethyl(methyl)amino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H24N4O4
MOLECULAR WEIGHT: 336.38616
SMILES: CN(CCO)C1=C(C(=O)C(=C(C1=O)N2CC2)N(C)CCO)N3CC3
Structure:

CAS RN: 42173-86-4
CAS Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: COC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
Structure:

CAS RN: 62102-28-7
CAS Name: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
IUPAC Name: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O4
MOLECULAR WEIGHT: 226.22916
SMILES: C1C(CC(C1CO)O)N2C=CC(=O)NC2=O
Structure:

CAS RN: 58484-06-3
CAS Name: 1-(2-chloroethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]urea
MOLECULAR FORMULA: C9H17ClN2O6
MOLECULAR WEIGHT: 284.69408
SMILES: C(CCl)NC(=O)NC1C(C(C(C(O1)CO)O)O)O
Structure:

CAS RN: 58484-05-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(2-chloroethylamino)-oxomethyl]amino]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(2-chloroethylcarbamoylamino)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(2-chloroethylcarbamoylamino)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(2-chloroethylcarbamoylamino)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H25ClN2O10
MOLECULAR WEIGHT: 452.8408
SMILES: CC(=O)OCC1C(C(C(C(O1)NC(=O)NCCCl)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 57377-01-2
CAS Name: 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(3-hydroxycyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3-oxidanylcyclohexyl)urea
MOLECULAR FORMULA: C9H17ClN2O2
MOLECULAR WEIGHT: 220.69648
SMILES: C1CC(CC(C1)O)NC(=O)NCCCl
Structure:

CAS RN: 6195-86-4
CAS Name: N-[2,4,5-trimethoxy-6-(methoxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[2,4,5-trimethoxy-6-(methoxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C12H23NO6
MOLECULAR WEIGHT: 277.31412
SMILES: CC(=O)NC1C(C(C(OC1OC)COC)OC)OC
Structure:

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