CAS RN: 123229-97-0
CAS Name: 3-[1-oxo-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]decoxy]decanoic acid
OPENEYE Name: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxydecanoyloxy]decanoic acid
IUPAC Name: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
SYSTEMATIC NAME: 3-[3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxydecanoyloxy]decanoic acid
MOLECULAR FORMULA: C26H48O9
MOLECULAR WEIGHT: 504.65392
SMILES: CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Structure:
CAS RN: 37134-61-5
CAS Name: 3-[1-oxo-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]decoxy]decanoic acid
OPENEYE Name: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxydecanoyloxy]decanoic acid
IUPAC Name: 3-[3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
SYSTEMATIC NAME: 3-[3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxydecanoyloxy]decanoic acid
MOLECULAR FORMULA: C26H48O9
MOLECULAR WEIGHT: 504.65392
SMILES: CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Structure:
CAS RN: 37115-43-8
CAS Name: (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
OPENEYE Name: (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
IUPAC Name: (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
SYSTEMATIC NAME: (8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
MOLECULAR FORMULA: C17H13ClN4O
MOLECULAR WEIGHT: 324.76432
SMILES: C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)CO
Structure:
CAS RN: 41964-65-2
CAS Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-1-pentanamine
OPENEYE Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-pentan-1-amine
IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylpentan-1-amine
SYSTEMATIC NAME: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-pentan-1-amine
MOLECULAR FORMULA: C26H47N
MOLECULAR WEIGHT: 373.65808
SMILES: C[C@H](CCCN(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C
Structure:
CAS RN: 41965-60-0
CAS Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-1-pentanamine
OPENEYE Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-pentan-1-amine
IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylpentan-1-amine
SYSTEMATIC NAME: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethyl-pentan-1-amine
MOLECULAR FORMULA: C26H47N
MOLECULAR WEIGHT: 373.65808
SMILES: C[C@H](CCCN(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C
Structure:
CAS RN: 37081-76-8
CAS Name: 8-chloro-6-(1-piperazinyl)-2-benzo[b][1,4]benzoxazepinol
OPENEYE Name: 8-chloro-6-piperazin-1-yl-benzo[b][1,4]benzoxazepin-2-ol
IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol
SYSTEMATIC NAME: 8-chloranyl-6-piperazin-1-yl-benzo[b][1,4]benzoxazepin-2-ol
MOLECULAR FORMULA: C17H16ClN3O2
MOLECULAR WEIGHT: 329.78084
SMILES: C1CN(CCN1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=C(C=C4)Cl
Structure:
CAS RN: 41658-78-0
CAS Name: [2-[4-[4-[ethyl-[2-hydroxy-3-(trimethylammonio)propyl]amino]-2-methylphenyl]azophenyl]-2-oxoethyl]-trimethylammonium ditetrafluoroborate
OPENEYE Name: [2-[4-[4-[ethyl-[2-hydroxy-3-(trimethylammonio)propyl]amino]-2-methyl-phenyl]azophenyl]-2-oxo-ethyl]-trimethyl-ammonium ditetrafluoroborate
IUPAC Name: [2-[4-[[4-[ethyl-[2-hydroxy-3-(trimethylazaniumyl)propyl]amino]-2-methylphenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium ditetrafluoroborate
SYSTEMATIC NAME: [3-[ethyl-[3-methyl-4-[[4-[2-(trimethylazaniumyl)ethanoyl]phenyl]diazenyl]phenyl]amino]-2-oxidanyl-propyl]-trimethyl-azanium ditetrafluoroborate
MOLECULAR FORMULA: C26H41B2F8N5O2
MOLECULAR WEIGHT: 629.245266
SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CCN(CC(C[N+](C)(C)C)O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C)C
Structure:
CAS RN: 67394-31-4
CAS Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
OPENEYE Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
IUPAC Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
SYSTEMATIC NAME: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=C(C=C2CCN(CCC2=C1)CCC3=CC=C(C=C3)N)OC
Structure:
CAS RN: 79555-80-9
CAS Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
OPENEYE Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
IUPAC Name: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
SYSTEMATIC NAME: 4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=C(C=C2CCN(CCC2=C1)CCC3=CC=C(C=C3)N)OC
Structure:
CAS RN: 93-47-0
CAS Name: N-[(3,4-dimethoxyphenyl)methylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(3,4-dimethoxyphenyl)methyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)OC
Structure:
CAS RN: 68815-50-9
CAS Name: 2-(2-aminoethylamino)ethanol; octadecanoic acid
OPENEYE Name: 2-(2-aminoethylamino)ethanol; stearic acid
IUPAC Name: 2-(2-aminoethylamino)ethanol; octadecanoic acid
SYSTEMATIC NAME: 2-(2-azanylethylamino)ethanol; octadecanoic acid
MOLECULAR FORMULA: C22H48N2O3
MOLECULAR WEIGHT: 388.62812
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CNCCO)N
Structure:
CAS RN: 70693-42-4
CAS Name: 2-(2-aminoethylamino)ethanol; octadecanoic acid
OPENEYE Name: 2-(2-aminoethylamino)ethanol; stearic acid
IUPAC Name: 2-(2-aminoethylamino)ethanol; octadecanoic acid
SYSTEMATIC NAME: 2-(2-azanylethylamino)ethanol; octadecanoic acid
MOLECULAR FORMULA: C22H48N2O3
MOLECULAR WEIGHT: 388.62812
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CNCCO)N
Structure:
CAS RN: 58379-33-2
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
OPENEYE Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; stearic acid
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
MOLECULAR FORMULA: C26H59N5O2
MOLECULAR WEIGHT: 473.77896
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CNCCNCCNCCN)N
Structure:
CAS RN: 68784-17-8
CAS Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
OPENEYE Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; stearic acid
IUPAC Name: N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
SYSTEMATIC NAME: N'-[2-[2-(2-azanylethylamino)ethylamino]ethyl]ethane-1,2-diamine; octadecanoic acid
MOLECULAR FORMULA: C26H59N5O2
MOLECULAR WEIGHT: 473.77896
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CNCCNCCNCCN)N
Structure:
CAS RN: 68389-39-9
CAS Name: dipotassium 6-methylheptyl phosphate
OPENEYE Name: dipotassium 6-methylheptyl phosphate
IUPAC Name: dipotassium 6-methylheptyl phosphate
SYSTEMATIC NAME: dipotassium 6-methylheptyl phosphate
MOLECULAR FORMULA: C8H17K2O4P
MOLECULAR WEIGHT: 286.388541
SMILES: CC(C)CCCCCOP(=O)([O-])[O-].[K+].[K+]
Structure:
CAS RN: 68647-19-8
CAS Name: dipotassium 6-methylheptyl phosphate
OPENEYE Name: dipotassium 6-methylheptyl phosphate
IUPAC Name: dipotassium 6-methylheptyl phosphate
SYSTEMATIC NAME: dipotassium 6-methylheptyl phosphate
MOLECULAR FORMULA: C8H17K2O4P
MOLECULAR WEIGHT: 286.388541
SMILES: CC(C)CCCCCOP(=O)([O-])[O-].[K+].[K+]
Structure:
CAS RN: 68586-07-2
CAS Name: 2-aminoethanol; boric acid
OPENEYE Name: 2-aminoethanol; boric acid
IUPAC Name: 2-aminoethanol; boric acid
SYSTEMATIC NAME: 2-azanylethanol; boric acid
MOLECULAR FORMULA: C2H10BNO4
MOLECULAR WEIGHT: 122.9161
SMILES: B(O)(O)O.C(CO)N
Structure:
CAS RN: 68425-67-2
CAS Name: 2-aminoethanol; boric acid
OPENEYE Name: 2-aminoethanol; boric acid
IUPAC Name: 2-aminoethanol; boric acid
SYSTEMATIC NAME: 2-azanylethanol; boric acid
MOLECULAR FORMULA: C2H10BNO4
MOLECULAR WEIGHT: 122.9161
SMILES: B(O)(O)O.C(CO)N
Structure:
CAS RN: 68425-60-5
CAS Name: ammonium 2,3-di(propan-2-yl)-1-naphthalenesulfonate
OPENEYE Name: ammonium 2,3-diisopropylnaphthalene-1-sulfonate
IUPAC Name: azanium 2,3-di(propan-2-yl)naphthalene-1-sulfonate
SYSTEMATIC NAME: azanium 2,3-di(propan-2-yl)naphthalene-1-sulfonate
MOLECULAR FORMULA: C16H23NO3S
MOLECULAR WEIGHT: 309.42372
SMILES: CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 79815-20-6
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol sulfate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol sulfate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol sulfate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol sulfate
MOLECULAR FORMULA: C6H15NO7S-2
MOLECULAR WEIGHT: 245.2508
SMILES: C(CO)N(CCO)CCO.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 94108-51-7
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7-methyloctanoic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7-methyloctanoic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 7-methyloctanoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 7-methyloctanoic acid
MOLECULAR FORMULA: C15H33NO5
MOLECULAR WEIGHT: 307.42622
SMILES: CC(C)CCCCCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 67494-15-9
CAS Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
OPENEYE Name: (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
IUPAC Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
SYSTEMATIC NAME: (4aR,10aS)-1,1-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O
Structure:
CAS RN: 66508-32-5
CAS Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
OPENEYE Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
IUPAC Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
SYSTEMATIC NAME: 3-[ethanoyl(oxidanyl)amino]propylphosphonic acid
MOLECULAR FORMULA: C5H12NO5P
MOLECULAR WEIGHT: 197.126241
SMILES: CC(=O)N(CCCP(=O)(O)O)O
Structure:
CAS RN: 7698-94-4
CAS Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
OPENEYE Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
IUPAC Name: 3-[acetyl(hydroxy)amino]propylphosphonic acid
SYSTEMATIC NAME: 3-[ethanoyl(oxidanyl)amino]propylphosphonic acid
MOLECULAR FORMULA: C5H12NO5P
MOLECULAR WEIGHT: 197.126241
SMILES: CC(=O)N(CCCP(=O)(O)O)O
Structure:
CAS RN: 173994-79-1
CAS Name: 1-decene; 1-octene
OPENEYE Name: dec-1-ene; oct-1-ene
IUPAC Name: dec-1-ene; oct-1-ene
SYSTEMATIC NAME: dec-1-ene; oct-1-ene
MOLECULAR FORMULA: C18H36
MOLECULAR WEIGHT: 252.47844
SMILES: CCCCCCCCC=C.CCCCCCC=C
Structure:
CAS RN: 53621-22-0
CAS Name: 1-decene; 1-octene
OPENEYE Name: dec-1-ene; oct-1-ene
IUPAC Name: dec-1-ene; oct-1-ene
SYSTEMATIC NAME: dec-1-ene; oct-1-ene
MOLECULAR FORMULA: C18H36
MOLECULAR WEIGHT: 252.47844
SMILES: CCCCCCCCC=C.CCCCCCC=C
Structure:
CAS RN: 51567-05-6
CAS Name: 3-(dodecylamino)propanoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 3-(dodecylamino)propanoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 3-(dodecylamino)propanoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 3-(dodecylamino)propanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C19H42N2O4
MOLECULAR WEIGHT: 362.54778
SMILES: CCCCCCCCCCCCNCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 72955-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: CC1C2=C(C3=C(C(=C2CC(O1)CC(=O)O)O)C(=O)C4=C(C3=O)C5(C(OC4CC5O)C)O)O
Structure:
CAS RN: 72955-89-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: CC1C2=C(C3=C(C(=C2CC(O1)CC(=O)O)O)C(=O)C4=C(C3=O)C5(C(OC4CC5O)C)O)O
Structure:
CAS RN: 6712-97-6
CAS Name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C14H23NO3
MOLECULAR WEIGHT: 253.33732
SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCO)O
Structure:
CAS RN: 62498-67-3
CAS Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile
OPENEYE Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile
IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
SYSTEMATIC NAME: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
MOLECULAR FORMULA: C19H19FN2O
MOLECULAR WEIGHT: 310.365363
SMILES: CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
Structure:
CAS RN: 670-75-7
CAS Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile
OPENEYE Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile
IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
SYSTEMATIC NAME: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
MOLECULAR FORMULA: C19H19FN2O
MOLECULAR WEIGHT: 310.365363
SMILES: CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
Structure:
CAS RN: 61990-51-0
CAS Name: 4-acetamidobenzoic acid; 1-(dimethylamino)-2-propanol
OPENEYE Name: 4-acetamidobenzoic acid; 1-(dimethylamino)propan-2-ol
IUPAC Name: 4-acetamidobenzoic acid; 1-(dimethylamino)propan-2-ol
SYSTEMATIC NAME: 4-acetamidobenzoic acid; 1-(dimethylamino)propan-2-ol
MOLECULAR FORMULA: C14H22N2O4
MOLECULAR WEIGHT: 282.33548
SMILES: CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 6630-52-0
CAS Name: (2S,5R,6R)-6-[[2-[[(3,5-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-[(3,5-dioxopiperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-[(3,5-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[2-[[3,5-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H23N5O7S
MOLECULAR WEIGHT: 489.50162
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CC(=O)NC(=O)C4)C(=O)O)C
Structure:
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