Friday, October 28, 2011

http://ChemLookup.com Compounds




CAS RN: 99345-86-5
CAS Name: (12Z,14Z)-heptadeca-1,12,14-triene
OPENEYE Name: (12Z,14Z)-heptadeca-1,12,14-triene
IUPAC Name: (12Z,14Z)-heptadeca-1,12,14-triene
SYSTEMATIC NAME: (12Z,14Z)-heptadeca-1,12,14-triene
MOLECULAR FORMULA: C17H30
MOLECULAR WEIGHT: 234.4201
SMILES: CC/C=C\C=C/CCCCCCCCCC=C
Structure:

CAS RN: 62726-18-5
CAS Name: (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide
OPENEYE Name: (2E,4E,10Z)-N-isobutyldocosa-2,4,10-trienamide
IUPAC Name: (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide
SYSTEMATIC NAME: (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide
MOLECULAR FORMULA: C26H47NO
MOLECULAR WEIGHT: 389.65748
SMILES: CCCCCCCCCCC/C=C\CCCC/C=C/C=C/C(=O)NCC(C)C
Structure:

CAS RN: 62560-51-4
CAS Name: (1R,2R,4S)-2,4-dichloro-1-[(E)-2-chloroethenyl]-1-methyl-5-methylenecyclohexane
OPENEYE Name: (1R,2R,4S)-2,4-dichloro-1-[(E)-2-chlorovinyl]-1-methyl-5-methylene-cyclohexane
IUPAC Name: (1R,2R,4S)-2,4-dichloro-1-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane
SYSTEMATIC NAME: (1R,2R,4S)-2,4-bis(chloranyl)-1-[(E)-2-chloranylethenyl]-1-methyl-5-methylidene-cyclohexane
MOLECULAR FORMULA: C10H13Cl3
MOLECULAR WEIGHT: 239.56922
SMILES: C[C@@]1(CC(=C)[C@H](C[C@H]1Cl)Cl)/C=C/Cl
Structure:

CAS RN: 62235-06-7
CAS Name: (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
OPENEYE Name: (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
IUPAC Name: (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
SYSTEMATIC NAME: (3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C
Structure:

CAS RN: 62026-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H32O10
MOLECULAR WEIGHT: 516.53698
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@]4(C(=O)C(O[C@]4([C@]3([C@@]15[C@H](O5)C(=O)OC2C6=COC=C6)C)O)(C)C)O)(C)/C=C\C(=O)OC
Structure:

CAS RN: 62018-77-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO5
MOLECULAR WEIGHT: 337.41068
SMILES: C[C@@H]1C/C(=C/C(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@]1(C)O)/C
Structure:

CAS RN: 61949-82-4
CAS Name: 8-[(2R)-2-[(E)-oct-3-enyl]-2-oxiranyl]octanoic acid
OPENEYE Name: 8-[(2R)-2-[(E)-oct-3-enyl]oxiran-2-yl]octanoic acid
IUPAC Name: 8-[(2R)-2-[(E)-oct-3-enyl]oxiran-2-yl]octanoic acid
SYSTEMATIC NAME: 8-[(2R)-2-[(E)-oct-3-enyl]oxiran-2-yl]octanoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCC/C=C/CC[C@@]1(CO1)CCCCCCCC(=O)O
Structure:

CAS RN: 131060-14-5
CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[[4-(3-thiophenyl)-2-thiophenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine
OPENEYE Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[[4-(3-thienyl)-2-thienyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
SYSTEMATIC NAME: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
MOLECULAR FORMULA: C27H31NOS2
MOLECULAR WEIGHT: 449.67114
SMILES: CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3
Structure:

CAS RN: 126869-04-3
CAS Name: 5,6-dimethyl-2-[[(Z)-4-[3-(1-piperidinylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one dihydrochloride
OPENEYE Name: 5,6-dimethyl-2-[[(Z)-4-[3-(1-piperidylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one dihydrochloride
IUPAC Name: 5,6-dimethyl-2-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one dihydrochloride
SYSTEMATIC NAME: 5,6-dimethyl-2-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-4-one dihydrochloride
MOLECULAR FORMULA: C22H32Cl2N4O2
MOLECULAR WEIGHT: 455.42108
SMILES: CC1=C(NC(=NC1=O)NC/C=C\COC2=CC=CC(=C2)CN3CCCCC3)C.Cl.Cl
Structure:

CAS RN: 124478-60-0
CAS Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-13-methyl-17-oxidanyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H37NO2
MOLECULAR WEIGHT: 431.60958
SMILES: C/C=C\[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
Structure:

CAS RN: 117028-28-1
CAS Name: 2-[2-[(1R,2R,3aS,7aS)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
OPENEYE Name: 2-[2-[(1R,2R,3aS,7aS)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxy-pent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
IUPAC Name: 2-[2-[(1R,2R,3aS,7aS)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(1R,2R,3aS,7aS)-1-[(E,3R)-4-methyl-3-oxidanyl-4-phenoxy-pent-1-enyl]-2-oxidanyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]ethanoic acid
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: CC(C)([C@@H](/C=C/[C@@H]1[C@H]2CCC(=C[C@H]2C[C@H]1O)CCOCC(=O)O)O)OC3=CC=CC=C3
Structure:

CAS RN: 111634-67-4
CAS Name: [(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
OPENEYE Name: [(1R,2R,4R)-4-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-2-hydroxy-cyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
IUPAC Name: [(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
SYSTEMATIC NAME: [(1R,2R,4R)-4-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-oxidanyl-cyclopentyl]methyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C12H18BrN2O12P3
MOLECULAR WEIGHT: 555.102803
SMILES: C1[C@H](C[C@H]([C@@H]1CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:

CAS RN: 107537-44-0
CAS Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,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,9E,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,9E,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,9E,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: 104988-76-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H11BrN2O5
MOLECULAR WEIGHT: 331.11944
SMILES: C1=C(C(=O)N=C2N1[C@H]3[C@@H](O2)[C@@H]([C@H](O3)CO)O)/C=C/Br
Structure:

CAS RN: 55252-82-9
CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester
OPENEYE Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C41H74NO8P
MOLECULAR WEIGHT: 740.001921
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Structure:

CAS RN: 36076-04-7
CAS Name: (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenimine
OPENEYE Name: (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
IUPAC Name: (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SYSTEMATIC NAME: (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
MOLECULAR FORMULA: C24H37N
MOLECULAR WEIGHT: 339.55728
SMILES: CCCCN=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Structure:

CAS RN: 37244-82-9
CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid trioxidanylmethyl ester
OPENEYE Name: trioxidanylmethyl (9Z,12Z)-octadeca-9,12-dienoate
IUPAC Name: trioxidanylmethyl (9Z,12Z)-octadeca-9,12-dienoate
SYSTEMATIC NAME: trioxidanylmethyl (9Z,12Z)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C19H34O5
MOLECULAR WEIGHT: 342.47026
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCOOO
Structure:

CAS RN: 78111-16-7
CAS Name: 2-hydroxy-3-[5'-hydroxy-4-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-6-methyl-2'-spiro[3-oxa-7-thiabicyclo[4.1.0]heptan
OPENEYE Name: methyl 2-hydroxy-3-[5'-hydroxy-4-[(E)-3-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-6-methyl-spiro[3-oxa-7-thiabicyc
IUPAC Name: methyl 2-hydroxy-3-[5'-hydroxy-4-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]h
SYSTEMATIC NAME: methyl 2-methyl-3-[6-methyl-4-[(E)-4-[2-[3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-5'-oxidanyl-spiro[3-oxa-7-thiabicyclo[4.
MOLECULAR FORMULA: C45H70O13S
MOLECULAR WEIGHT: 851.0945
SMILES: CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)/C=C/C(C)C6CC7(C(S7)C8(O6)C(CCC(O8)CC(C)(C(=O)OC)O)O)C)O)O
Structure:

CAS RN: 75111-35-2
CAS Name: 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]thio]butanoic acid methyl ester
OPENEYE Name: methyl 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate
IUPAC Name: methyl 4-[[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate
SYSTEMATIC NAME: methyl 4-[[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]sulfanyl]butanoate
MOLECULAR FORMULA: C20H33NO4S
MOLECULAR WEIGHT: 383.54532
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=N2)SCCCC(=O)OC)O)O
Structure:

CAS RN: 73509-46-3
CAS Name: (Z)-7-[(3R,4R)-3-[(E)-3-hydroxyoct-1-enyl]-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(2R,3R)-3-[(E)-3-hydroxyoct-1-enyl]norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(3R,4R)-3-[(E)-3-hydroxyoct-1-enyl]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(3R,4R)-3-[(E)-3-oxidanyloct-1-enyl]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H36O3
MOLECULAR WEIGHT: 348.51944
SMILES: CCCCCC(/C=C/[C@H]1CC2CC(C2)[C@H]1C/C=C\CCCC(=O)O)O
Structure:

CAS RN: 174762-89-1
CAS Name: (E)-2-butenedioic acid; 8-chloro-5-(4-methyl-1-piperazinyl)pyrido[2,3-b][1,5]benzoxazepine
OPENEYE Name: 8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-chloranyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
MOLECULAR FORMULA: C21H21ClN4O5
MOLECULAR WEIGHT: 444.86824
SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=CC=N4.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 149859-10-9
CAS Name: (E)-2-butenedioic acid; 8-chloro-5-(4-methyl-1-piperazinyl)pyrido[2,3-b][1,5]benzoxazepine
OPENEYE Name: 8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-chloranyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
MOLECULAR FORMULA: C21H21ClN4O5
MOLECULAR WEIGHT: 444.86824
SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=CC=N4.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 69150-50-1
CAS Name: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-5-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C12H14F3N2O8P
MOLECULAR WEIGHT: 402.217131
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(F)(F)F)COP(=O)(O)O)O
Structure:

CAS RN: 162666-34-4
CAS Name: (5Z)-1-hydroxy-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione
OPENEYE Name: (5Z)-1-hydroxy-3-isobutyl-5-(2-methylpropylidene)pyrazine-2,6-dione
IUPAC Name: (5Z)-1-hydroxy-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione
SYSTEMATIC NAME: (5Z)-3-(2-methylpropyl)-5-(2-methylpropylidene)-1-oxidanyl-pyrazine-2,6-dione
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CC(C)CC1=N/C(=C\C(C)C)/C(=O)N(C1=O)O
Structure:

CAS RN: 40666-03-3
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-4-(4-fluorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-4-(4-fluoranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H29FO6
MOLECULAR WEIGHT: 408.460463
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/C(COC2=CC=C(C=C2)F)O)C/C=C\CCCC(=O)O)O
Structure:

CAS RN: 50656-85-4
CAS Name: (3E,4S)-4-(3-methyl-4-imidazolyl)-3-(phenylmethylene)-2-pyrrolidinone
OPENEYE Name: (3E,4S)-3-benzylidene-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
IUPAC Name: (3E,4S)-3-benzylidene-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
SYSTEMATIC NAME: (3E,4S)-4-(3-methylimidazol-4-yl)-3-(phenylmethylidene)pyrrolidin-2-one
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: CN1C=NC=C1[C@@H]\2CNC(=O)/C2=C/C3=CC=CC=C3
Structure:

CAS RN: 50656-82-1
CAS Name: (3E,4S)-4-(1-methyl-4-imidazolyl)-3-(phenylmethylene)-2-pyrrolidinone
OPENEYE Name: (3E,4S)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
IUPAC Name: (3E,4S)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
SYSTEMATIC NAME: (3E,4S)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)pyrrolidin-2-one
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: CN1C=C(N=C1)[C@@H]\2CNC(=O)/C2=C/C3=CC=CC=C3
Structure:

CAS RN: 39368-46-2
CAS Name: (3E,4S)-4-(1-methyl-4-imidazolyl)-3-(phenylmethylene)-2-pyrrolidinone
OPENEYE Name: (3E,4S)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
IUPAC Name: (3E,4S)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
SYSTEMATIC NAME: (3E,4S)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)pyrrolidin-2-one
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: CN1C=C(N=C1)[C@@H]\2CNC(=O)/C2=C/C3=CC=CC=C3
Structure:

CAS RN: 74145-72-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H38O5
MOLECULAR WEIGHT: 406.55552
SMILES: CCCC(=O)OC1C(CC2C(COC3(C(C/C=C(\CC4C1C2C3O4)/C)O)C)C)C
Structure:

CAS RN: 73376-36-0
CAS Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
OPENEYE Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
IUPAC Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SYSTEMATIC NAME: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
MOLECULAR FORMULA: C15H27NO
MOLECULAR WEIGHT: 237.38098
SMILES: CCC[C@@H](C)/C=C\1/C[C@]([C@@H]2CCCN2C1)(C)O
Structure:

CAS RN: 73061-92-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H50O10
MOLECULAR WEIGHT: 642.7762
SMILES: CCCCCCCCC/C=C/C=C/[C@@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO
Structure:

CAS RN: 70857-53-3
CAS Name: (2Z)-4,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
OPENEYE Name: (2Z)-4,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
IUPAC Name: (2Z)-4,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
SYSTEMATIC NAME: (2Z)-11-methyl-4,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
MOLECULAR FORMULA: C18H22O6
MOLECULAR WEIGHT: 334.36368
SMILES: CC1CCCC(=O)CCC(/C=C\C2=CC(=CC(=C2C(=O)O1)O)O)O
Structure:

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