CAS RN: 146275-18-5
CAS Name: 7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline
OPENEYE Name: 7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline
IUPAC Name: 7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline
SYSTEMATIC NAME: 7-chloranyl-4-[2-(trifluoromethyl)phenoxy]quinoline
MOLECULAR FORMULA: C16H9ClF3NO
MOLECULAR WEIGHT: 323.69697
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=C3C=CC(=CC3=NC=C2)Cl
Structure:
CAS RN: 14572-92-0
CAS Name: 4-[2-(4-chlorophenyl)ethoxy]quinazoline
OPENEYE Name: 4-[2-(4-chlorophenyl)ethoxy]quinazoline
IUPAC Name: 4-[2-(4-chlorophenyl)ethoxy]quinazoline
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)ethoxy]quinazoline
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1=CC=C2C(=C1)C(=NC=N2)OCCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 145680-57-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H46O10
MOLECULAR WEIGHT: 662.76584
SMILES: CC1CC2C34C(C(C5(C(C3C6C(O6)(C(C2(C1=O)O)O)CO)OC(O4)(O5)C7=CC=CC=C7)C(C)C)OC(=O)CCCCC8=CC=CC=C8)C
Structure:
CAS RN: 14564-87-5
CAS Name: 1-[[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-6-amino-8-purinyl]thio]-4-bromobutane-2,3-dione
OPENEYE Name: 1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-amino-purin-8-yl]sulfanyl-4-bromo-butane-2,3-dione
IUPAC Name: 1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione
SYSTEMATIC NAME: 1-[9-[(4aR,6R,7R,7aS)-2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-azanyl-purin-8-yl]sulfanyl-4-bromanyl-butane-2,3-dione
MOLECULAR FORMULA: C14H15BrN5O8PS
MOLECULAR WEIGHT: 524.240361
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3SCC(=O)C(=O)CBr)O)OP(=O)(O1)O
Structure:
CAS RN: 29919-25-3
CAS Name: 14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
OPENEYE Name: 14,16,18,20,22,24,26,28-octahydroxy-32-isopropyl-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
IUPAC Name: 14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
SYSTEMATIC NAME: 15,31-dimethyl-14,16,18,20,22,24,26,28-octakis(oxidanyl)-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
MOLECULAR FORMULA: C36H58O10
MOLECULAR WEIGHT: 650.83972
SMILES: CC1C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O
Structure:
CAS RN: 123136-61-8
CAS Name: (3R)-3-hydroxytetradecanoic acid [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4-[(3R)-3-hydroxy-1-oxotetradecoxy]-5-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-6-phosphonooxy-3-oxanyl] ester
OPENEYE Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-tetrahydropyran-3-yl] (3R)-3-hydroxytetradecanoate
IUPAC Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-3-yl] (3R)-3-hydroxytetradecanoate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-4-[(3R)-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-3-yl] (3R)-3-oxidanyltetradecanoate
MOLECULAR FORMULA: C48H92NO14P
MOLECULAR WEIGHT: 938.216141
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)OC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O
Structure:
CAS RN: 14445-79-5
CAS Name: acetic acid [(2R,3S)-2-methyl-7-(2-methylbut-3-en-2-yl)-2-(2-methylpropyl)-8-oxo-3,4-dihydropyrano[3,2-g][1]benzopyran-3-yl] ester
OPENEYE Name: [(2R,3S)-7-(1,1-dimethylallyl)-2-isobutyl-2-methyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
IUPAC Name: [(2R,3S)-2-methyl-7-(2-methylbut-3-en-2-yl)-2-(2-methylpropyl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
SYSTEMATIC NAME: [(2R,3S)-2-methyl-7-(2-methylbut-3-en-2-yl)-2-(2-methylpropyl)-8-oxidanylidene-3,4-dihydropyrano[3,2-g]chromen-3-yl] ethanoate
MOLECULAR FORMULA: C24H30O5
MOLECULAR WEIGHT: 398.492
SMILES: CC(C)C[C@@]1([C@H](CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C)OC(=O)C)C
Structure:
CAS RN: 154427-83-5
CAS Name: hydron; samarium-153(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
OPENEYE Name: hydron; samarium-153(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
IUPAC Name: hydron; samarium-153(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
SYSTEMATIC NAME: hydron; samarium-153(3+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C6H17N2O12P4Sm
MOLECULAR WEIGHT: 586.022518
SMILES: [H+].[H+].[H+].[H+].[H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[153Sm+3]
Structure:
CAS RN: 122051-33-6
CAS Name: 3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: 3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C31H44O10
MOLECULAR WEIGHT: 576.67506
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)OC)O
Structure:
CAS RN: 14336-66-4
CAS Name: hexadecanoic acid [(2R)-2-[1-oxo-6-(1-pyrenyl)hexoxy]-3-phosphonooxypropyl] ester
OPENEYE Name: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate
IUPAC Name: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-3-phosphonooxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate
MOLECULAR FORMULA: C41H57O8P
MOLECULAR WEIGHT: 708.860241
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Structure:
CAS RN: 14054-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H10Cl2O6
MOLECULAR WEIGHT: 381.1637
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@H]5[C@@H](OC4=C1)OC(=C5Cl)Cl
Structure:
CAS RN: 105365-76-2
CAS Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile
OPENEYE Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile
IUPAC Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile
SYSTEMATIC NAME: 4-[(7-oxidanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzenecarbonitrile
MOLECULAR FORMULA: C14H12N4O
MOLECULAR WEIGHT: 252.27128
SMILES: C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N
Structure:
CAS RN: 1403-50-5
CAS Name: 2,6-dimethyl-4-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-[methyl-(phenylmethyl)amino]ethyl] ester
OPENEYE Name: O5-[2-[benzyl(methyl)amino]ethyl] O3-methyl 4-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-[2-[methyl-(phenylmethyl)amino]ethyl] 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C30H36N4O4
MOLECULAR WEIGHT: 516.63124
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=C4C=CC=CN4N=C3C(C)C)C(=O)OC
Structure:
CAS RN: 13999-34-3
CAS Name: fluoro($l^{1}-oxidanyloxy)methane
OPENEYE Name: fluoro($l^{1}-oxidanyloxy)methane
IUPAC Name: fluoro($l^{1}-oxidanyloxy)methane
SYSTEMATIC NAME: fluoranyl($l^{1}-oxidanyloxy)methane
MOLECULAR FORMULA: CH2FO2
MOLECULAR WEIGHT: 65.023783
SMILES: C(O[O])F
Structure:
CAS RN: 13980-33-1
CAS Name: (3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-(2-phenylethoxy)butanoic acid
MOLECULAR FORMULA: C51H67N7O15S
MOLECULAR WEIGHT: 1050.18058
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 119306-51-3
CAS Name: 4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]benzoic acid
IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]benzoic acid
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 13942-76-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O3
MOLECULAR WEIGHT: 304.33924
SMILES: C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=C4[C@H]6[C@H](O6)[C@@H]([C@H]5O)O
Structure:
CAS RN: 111238-25-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O3
MOLECULAR WEIGHT: 304.33924
SMILES: C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=C4[C@H]6[C@H](O6)[C@@H]([C@H]5O)O
Structure:
CAS RN: 13936-01-1
CAS Name: (2,6-dichlorophenyl)-(2-furanyl)methanol
OPENEYE Name: (2,6-dichlorophenyl)-(2-furyl)methanol
IUPAC Name: (2,6-dichlorophenyl)-(furan-2-yl)methanol
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl]-(furan-2-yl)methanol
MOLECULAR FORMULA: C11H8Cl2O2
MOLECULAR WEIGHT: 243.08602
SMILES: C1=CC(=C(C(=C1)Cl)C(C2=CC=CO2)O)Cl
Structure:
CAS RN: 118968-41-5
CAS Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]one
OPENEYE Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-3-one
IUPAC Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
SYSTEMATIC NAME: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
MOLECULAR FORMULA: C30H39NO2
MOLECULAR WEIGHT: 445.63616
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@]4([C@]3(C[C@@H](C2=C5C1=CC(=O)CC5)C6=CC=C(C=C6)N(C)C)C)CCCO4
Structure:
CAS RN: 13911-90-5
CAS Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]one
OPENEYE Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-3-one
IUPAC Name: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
SYSTEMATIC NAME: (6R,8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
MOLECULAR FORMULA: C30H39NO2
MOLECULAR WEIGHT: 445.63616
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@]4([C@]3(C[C@@H](C2=C5C1=CC(=O)CC5)C6=CC=C(C=C6)N(C)C)C)CCCO4
Structure:
CAS RN: 13909-29-0
CAS Name: 1,2-diphenyl-2-propanamine
OPENEYE Name: 1,2-diphenylpropan-2-amine
IUPAC Name: 1,2-diphenylpropan-2-amine
SYSTEMATIC NAME: 1,2-diphenylpropan-2-amine
MOLECULAR FORMULA: C15H17N
MOLECULAR WEIGHT: 211.30218
SMILES: CC(CC1=CC=CC=C1)(C2=CC=CC=C2)N
Structure:
CAS RN: 118635-52-2
CAS Name: 2-(2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-7-yl)propanoic acid [2-(dimethylamino)-2-oxoethyl] ester
OPENEYE Name: [2-(dimethylamino)-2-oxo-ethyl] 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
SYSTEMATIC NAME: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC1=NC2=C(CC3=C(O2)C=CC(=C3)C(C)C(=O)OCC(=O)N(C)C)C=C1
Structure:
CAS RN: 13896-83-8
CAS Name: 3,5-dihydroxy-7-methoxy-6-methyl-4-(3-methylbut-2-enyl)-3H-isobenzofuran-1-one
OPENEYE Name: 3,5-dihydroxy-7-methoxy-6-methyl-4-(3-methylbut-2-enyl)-3H-isobenzofuran-1-one
IUPAC Name: 3,5-dihydroxy-7-methoxy-6-methyl-4-(3-methylbut-2-enyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 7-methoxy-6-methyl-4-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: CC1=C(C2=C(C(OC2=O)O)C(=C1O)CC=C(C)C)OC
Structure:
CAS RN: 13861-15-9
CAS Name: 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCCl
Structure:
CAS RN: 13756-48-4
CAS Name: (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8,13-di(propan-2-yl)-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopen
OPENEYE Name: (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8,13-diisopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-1-[(2S)-2
IUPAC Name: (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8,13-di(propan-2-yl)-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopen
SYSTEMATIC NAME: (2S)-N-[1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8,13-di(propan-2-yl)-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4
MOLECULAR FORMULA: C56H87N7O15
MOLECULAR WEIGHT: 1098.32788
SMILES: C[C@@H]1[C@@H](C(=O)N[C@@H]([C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O1)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O)C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](C)O
Structure:
CAS RN: 117620-77-6
CAS Name: 7-ethoxy-2-oxo-1-benzopyran-3-carbonitrile
OPENEYE Name: 7-ethoxy-2-oxo-chromene-3-carbonitrile
IUPAC Name: 7-ethoxy-2-oxochromene-3-carbonitrile
SYSTEMATIC NAME: 7-ethoxy-2-oxidanylidene-chromene-3-carbonitrile
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Structure:
CAS RN: 117176-50-8
CAS Name: 1-diazonio-3-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-buten-2-olate
OPENEYE Name: 3-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-1-diazonio-but-1-en-2-olate
IUPAC Name: 1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
SYSTEMATIC NAME: 1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
MOLECULAR FORMULA: C21H22N4O5
MOLECULAR WEIGHT: 410.42318
SMILES: CC(C(=C[N+]#N)[O-])NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
Structure:
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