Saturday, October 29, 2011

http://ChemLookup.com Compounds




CAS RN: 134788-15-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H42O14
MOLECULAR WEIGHT: 662.67818
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2C14CO[C@H]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)O)C(=O)OC)OC(=O)C
Structure:

CAS RN: 134458-00-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34N2O6
MOLECULAR WEIGHT: 482.56866
SMILES: CC1C2C3CCC4/C=C/C(=O)C5=C(NC(C5=O)C(CCNC(=O)/C=C/CC4C3CC2C6C1O6)O)O
Structure:

CAS RN: 134419-23-1
CAS Name: (E)-3-(6-bromo-1H-indol-3-yl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoate
IUPAC Name: methyl (E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(6-bromanyl-1H-indol-3-yl)prop-2-enoate
MOLECULAR FORMULA: C12H10BrNO2
MOLECULAR WEIGHT: 280.1173
SMILES: COC(=O)/C=C/C1=CNC2=C1C=CC(=C2)Br
Structure:

CAS RN: 134336-72-4
CAS Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
OPENEYE Name: 2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
IUPAC Name: 2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]ethanoic acid
MOLECULAR FORMULA: C26H30O5
MOLECULAR WEIGHT: 422.5134
SMILES: CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)OCC(=O)O)C
Structure:

CAS RN: 134127-81-4
CAS Name: (E)-2-methyl-3-(3-phenylmethoxyphenyl)-2-propenal
OPENEYE Name: (E)-3-(3-benzyloxyphenyl)-2-methyl-prop-2-enal
IUPAC Name: (E)-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C17H16O2
MOLECULAR WEIGHT: 252.30774
SMILES: C/C(=C\C1=CC(=CC=C1)OCC2=CC=CC=C2)/C=O
Structure:

CAS RN: 133625-26-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H36N2O3
MOLECULAR WEIGHT: 496.63984
SMILES: C[C@H]/1C/C=C/[C@H]2C=C([C@H]([C@@H]3C2(C(=O)/C=C/C(=O)C/C(=C1)/C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C
Structure:

CAS RN: 133613-78-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H36N2O4
MOLECULAR WEIGHT: 512.63924
SMILES: C[C@H]/1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4C2(C(=O)/C=C/C(=O)C/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
Structure:

CAS RN: 133613-77-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N2O2
MOLECULAR WEIGHT: 482.65632
SMILES: C[C@H]/1C/C=C/[C@H]2C=C([C@H]([C@@H]3C2(C(=O)/C=C/CC/C(=C1)/C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C
Structure:

CAS RN: 133575-10-7
CAS Name: (1S,3S)-3-[(Z)-2-chloro-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3S)-3-[(Z)-2-chloro-2-(4-fluorophenyl)vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: ethyl (1S,3S)-3-[(Z)-2-chloro-2-(4-fluorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,3S)-3-[(Z)-2-chloranyl-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C16H18ClFO2
MOLECULAR WEIGHT: 296.764323
SMILES: CCOC(=O)[C@H]1[C@H](C1(C)C)/C=C(/C2=CC=C(C=C2)F)\Cl
Structure:

CAS RN: 133575-09-4
CAS Name: (1S,3S)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3S)-3-[(Z)-2-chloro-2-phenyl-vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: ethyl (1S,3S)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,3S)-3-[(Z)-2-chloranyl-2-phenyl-ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C16H19ClO2
MOLECULAR WEIGHT: 278.77386
SMILES: CCOC(=O)[C@H]1[C@H](C1(C)C)/C=C(/C2=CC=CC=C2)\Cl
Structure:

CAS RN: 133575-08-3
CAS Name: (1S,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3R)-3-[(Z)-2-chloro-2-phenyl-vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: ethyl (1S,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,3R)-3-[(Z)-2-chloranyl-2-phenyl-ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C16H19ClO2
MOLECULAR WEIGHT: 278.77386
SMILES: CCOC(=O)[C@H]1[C@@H](C1(C)C)/C=C(/C2=CC=CC=C2)\Cl
Structure:

CAS RN: 133472-25-0
CAS Name: (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid methyl ester
OPENEYE Name: methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H25FO2
MOLECULAR WEIGHT: 328.420403
SMILES: CCCCC#C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OC)/C2=CC=C(C=C2)F
Structure:

CAS RN: 133472-23-8
CAS Name: (1S,3S)-3-[(Z)-2-bromo-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S)-3-[(Z)-2-bromo-2-(4-fluorophenyl)vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: methyl (1S,3S)-3-[(Z)-2-bromo-2-(4-fluorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: methyl (1S,3S)-3-[(Z)-2-bromanyl-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C15H16BrFO2
MOLECULAR WEIGHT: 327.188743
SMILES: CC1([C@@H]([C@@H]1C(=O)OC)/C=C(/C2=CC=C(C=C2)F)\Br)C
Structure:

CAS RN: 133472-22-7
CAS Name: (1S,3R)-3-[(Z)-2-chloro-2-(2-furanyl)ethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-2-(2-furyl)vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-2-(furan-2-yl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloranyl-2-(furan-2-yl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C25H23ClO4
MOLECULAR WEIGHT: 422.90072
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C4=CC=CO4)\Cl)C
Structure:

CAS RN: 133472-21-6
CAS Name: (1S,3S)-3-[(Z)-2-chloro-2-thiophen-2-ylethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S)-3-[(Z)-2-chloro-2-(2-thienyl)vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: methyl (1S,3S)-3-[(Z)-2-chloro-2-thiophen-2-ylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: methyl (1S,3S)-3-[(Z)-2-chloranyl-2-thiophen-2-yl-ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C13H15ClO2S
MOLECULAR WEIGHT: 270.775
SMILES: CC1([C@@H]([C@@H]1C(=O)OC)/C=C(/C2=CC=CS2)\Cl)C
Structure:

CAS RN: 133472-19-2
CAS Name: (1S,3R)-3-[(Z)-2-chloro-2-(3-chlorophenyl)ethenyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,3R)-3-[(Z)-2-chloro-2-(3-chlorophenyl)vinyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: ethyl (1S,3R)-3-[(Z)-2-chloro-2-(3-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,3R)-3-[(Z)-2-chloranyl-2-(3-chlorophenyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C16H18Cl2O2
MOLECULAR WEIGHT: 313.21892
SMILES: CCOC(=O)[C@H]1[C@@H](C1(C)C)/C=C(/C2=CC(=CC=C2)Cl)\Cl
Structure:

CAS RN: 133445-06-4
CAS Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-1-oxopentyl]amino]butan-2-yl]-4-oxazoly
OPENEYE Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(1S)-3-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-pentanoyl]amino]-1-methyl-propyl]oxazo
IUPAC Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4
SYSTEMATIC NAME: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-cyano-1-methoxy-4,6,8,9,13-pentamethyl-3,5-bis(oxidanyl)tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(oxidanyl)pentanoyl]amino]butan-2-yl]-1,3-
MOLECULAR FORMULA: C50H81N4O15P
MOLECULAR WEIGHT: 1009.169701
SMILES: C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C\C=C\C(=C\C#N)\C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O
Structure:

CAS RN: 133445-05-3
CAS Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-1-oxopentyl]amino]butan-2-yl]-4-oxazoly
OPENEYE Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(1S)-3-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-pentanoyl]amino]-1-methyl-propyl]oxazo
IUPAC Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4
SYSTEMATIC NAME: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9Z,11E,13Z)-14-cyano-1-methoxy-4,6,8,9,13-pentamethyl-3,5-bis(oxidanyl)tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(oxidanyl)pentanoyl]amino]butan-2-yl]-1,3-
MOLECULAR FORMULA: C50H81N4O15P
MOLECULAR WEIGHT: 1009.169701
SMILES: C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C\C=C\C(=C/C#N)\C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O
Structure:

CAS RN: 98978-67-7
CAS Name: 2-[[4-[(1E,3E)-pentadeca-1,3-dienyl]phenoxy]methyl]oxirane
OPENEYE Name: 2-[[4-[(1E,3E)-pentadeca-1,3-dienyl]phenoxy]methyl]oxirane
IUPAC Name: 2-[[4-[(1E,3E)-pentadeca-1,3-dienyl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-[[4-[(1E,3E)-pentadeca-1,3-dienyl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCCCCCCC/C=C/C=C/C1=CC=C(C=C1)OCC2CO2
Structure:

CAS RN: 98959-33-2
CAS Name: N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioic acid S-ethyl ester
OPENEYE Name: S-ethyl N,N-bis[(E)-3-chloroallyl]carbamothioate
IUPAC Name: S-ethyl N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioate
SYSTEMATIC NAME: S-ethyl N,N-bis[(E)-3-chloranylprop-2-enyl]carbamothioate
MOLECULAR FORMULA: C9H13Cl2NOS
MOLECULAR WEIGHT: 254.17662
SMILES: CCSC(=O)N(C/C=C/Cl)C/C=C/Cl
Structure:

CAS RN: 98734-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H72O15
MOLECULAR WEIGHT: 889.07628
SMILES: CCC(C)C1[C@@H](C=C[C@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C4C5(O4)CO[C@H]6[C@@]5(C(C=C([C@H]6O)C)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)\C)C
Structure:

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