CAS RN: 97290-50-1
CAS Name: (2R)-2-acetamido-3-[[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]thio]propanoic acid propan-2-yl ester
OPENEYE Name: isopropyl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxo-ethyl]sulfanyl-propanoate
IUPAC Name: propan-2-yl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate
SYSTEMATIC NAME: propan-2-yl (2R)-2-acetamido-3-[2-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate
MOLECULAR FORMULA: C24H35Br2N3O4S
MOLECULAR WEIGHT: 621.4254
SMILES: CC(C)OC(=O)[C@H](CSCC(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br)NC(=O)C
Structure:
CAS RN: 97290-44-3
CAS Name: (2R)-2-acetamido-3-[[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]thio]propanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxo-ethyl]sulfanyl-propanoate
IUPAC Name: ethyl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate
SYSTEMATIC NAME: ethyl (2R)-2-acetamido-3-[2-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate
MOLECULAR FORMULA: C23H33Br2N3O4S
MOLECULAR WEIGHT: 607.39882
SMILES: CCOC(=O)[C@H](CSCC(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br)NC(=O)C
Structure:
CAS RN: 97290-49-8
CAS Name: (2R)-2-acetamido-3-[[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]thio]propanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxo-ethyl]sulfanyl-propanoate
IUPAC Name: ethyl (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoate
SYSTEMATIC NAME: ethyl (2R)-2-acetamido-3-[2-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate
MOLECULAR FORMULA: C23H33Br2N3O4S
MOLECULAR WEIGHT: 607.39882
SMILES: CCOC(=O)[C@H](CSCC(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br)NC(=O)C
Structure:
CAS RN: 97290-48-7
CAS Name: (2R)-2-acetamido-3-[[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxo-ethyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[2-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C21H29Br2N3O4S
MOLECULAR WEIGHT: 579.34566
SMILES: CC(=O)N[C@@H](CSCC(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br)C(=O)O
Structure:
CAS RN: 94714-49-5
CAS Name: (2R,3R,4S,5S)-4-amino-2-(1-hydroxy-6-imino-9-purinyl)-5-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3R,4S,5S)-4-amino-2-(1-hydroxy-6-imino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3R,4S,5S)-4-amino-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3R,4S,5S)-4-azanyl-2-(6-azanylidene-1-oxidanyl-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H14N6O4
MOLECULAR WEIGHT: 282.25596
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O)N=CN(C2=N)O
Structure:
CAS RN: 92637-74-6
CAS Name: N-[(10-methyl-9-acridinylidene)amino]-2-thiazolamine hydrochloride
OPENEYE Name: N-[(10-methylacridin-9-ylidene)amino]thiazol-2-amine hydrochloride
IUPAC Name: N-[(10-methylacridin-9-ylidene)amino]-1,3-thiazol-2-amine hydrochloride
SYSTEMATIC NAME: N-[(10-methylacridin-9-ylidene)amino]-1,3-thiazol-2-amine hydrochloride
MOLECULAR FORMULA: C17H15ClN4S
MOLECULAR WEIGHT: 342.8458
SMILES: CN1C2=CC=CC=C2C(=NNC3=NC=CS3)C4=CC=CC=C41.Cl
Structure:
CAS RN: 92928-70-6
CAS Name: N-[[10-[3-(dimethylamino)propyl]-9-acridinylidene]amino]-2-thiazolamine dihydrochloride
OPENEYE Name: N-[[10-[3-(dimethylamino)propyl]acridin-9-ylidene]amino]thiazol-2-amine dihydrochloride
IUPAC Name: N-[[10-[3-(dimethylamino)propyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
SYSTEMATIC NAME: N-[[10-[3-(dimethylamino)propyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C21H25Cl2N5S
MOLECULAR WEIGHT: 450.4277
SMILES: CN(C)CCCN1C2=CC=CC=C2C(=NNC3=NC=CS3)C4=CC=CC=C41.Cl.Cl
Structure:
CAS RN: 92928-73-9
CAS Name: N-[[10-[2-(dimethylamino)ethyl]-9-acridinylidene]amino]-2-thiazolamine dihydrochloride
OPENEYE Name: N-[[10-[2-(dimethylamino)ethyl]acridin-9-ylidene]amino]thiazol-2-amine dihydrochloride
IUPAC Name: N-[[10-[2-(dimethylamino)ethyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
SYSTEMATIC NAME: N-[[10-[2-(dimethylamino)ethyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C20H23Cl2N5S
MOLECULAR WEIGHT: 436.40112
SMILES: CN(C)CCN1C2=CC=CC=C2C(=NNC3=NC=CS3)C4=CC=CC=C41.Cl.Cl
Structure:
CAS RN: 92928-62-6
CAS Name: N-[[10-[2-(diethylamino)ethyl]-9-acridinylidene]amino]-2-thiazolamine dihydrochloride
OPENEYE Name: N-[[10-[2-(diethylamino)ethyl]acridin-9-ylidene]amino]thiazol-2-amine dihydrochloride
IUPAC Name: N-[[10-[2-(diethylamino)ethyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
SYSTEMATIC NAME: N-[[10-[2-(diethylamino)ethyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C22H27Cl2N5S
MOLECULAR WEIGHT: 464.45428
SMILES: CCN(CC)CCN1C2=CC=CC=C2C(=NNC3=NC=CS3)C4=CC=CC=C41.Cl.Cl
Structure:
CAS RN: 92928-33-1
CAS Name: N-[[10-(2-aminoethyl)-9-acridinylidene]amino]-2-thiazolamine dihydrochloride
OPENEYE Name: N-[[10-(2-aminoethyl)acridin-9-ylidene]amino]thiazol-2-amine dihydrochloride
IUPAC Name: N-[[10-(2-aminoethyl)acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
SYSTEMATIC NAME: N-[[10-(2-azanylethyl)acridin-9-ylidene]amino]-1,3-thiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C18H19Cl2N5S
MOLECULAR WEIGHT: 408.34796
SMILES: C1=CC=C2C(=C1)C(=NNC3=NC=CS3)C4=CC=CC=C4N2CCN.Cl.Cl
Structure:
CAS RN: 77984-95-3
CAS Name: N-(2-chloro-6-methylphenyl)-2-(1-pyrrolidinyl)acetamide hydrochloride
OPENEYE Name: N-(2-chloro-6-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide hydrochloride
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide hydrochloride
SYSTEMATIC NAME: N-(2-chloranyl-6-methyl-phenyl)-2-pyrrolidin-1-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C13H18Cl2N2O
MOLECULAR WEIGHT: 289.20082
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)CN2CCCC2.Cl
Structure:
CAS RN: 104450-39-7
CAS Name: 2,3-dihydroxybutanedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
OPENEYE Name: 2,3-dihydroxybutanedioic acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
IUPAC Name: 2,3-dihydroxybutanedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C40H64N2O14
MOLECULAR WEIGHT: 796.94116
SMILES: CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 104450-37-5
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C40H62N2O12
MOLECULAR WEIGHT: 762.92648
SMILES: CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104468-04-4
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(pentoxymethyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C44H70N2O12
MOLECULAR WEIGHT: 819.0328
SMILES: CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-50-2
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(octoxymethyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(octoxymethyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(octoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-(octoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C50H82N2O12
MOLECULAR WEIGHT: 903.19228
SMILES: CCCCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-42-2
CAS Name: (E)-2-butenedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(isopropoxymethyl)phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C40H62N2O12
MOLECULAR WEIGHT: 762.92648
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)C(=O)C)COC(C)C)O.CC(C)NCC(COC1=C(C=C(C=C1)C(=O)C)COC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-46-6
CAS Name: (E)-2-butenedioic acid; 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
OPENEYE Name: fumaric acid; 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-(hexoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C46H74N2O12
MOLECULAR WEIGHT: 847.08596
SMILES: CCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-33-1
CAS Name: (E)-2-butenedioic acid; 1-[2-(ethoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
OPENEYE Name: 1-[2-(ethoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(ethoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-(ethoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C38H58N2O12
MOLECULAR WEIGHT: 734.87332
SMILES: CCOCC1=C(C=CC(=C1)OCC(CNC(C)C)O)C(=O)C.CCOCC1=C(C=CC(=C1)OCC(CNC(C)C)O)C(=O)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-40-0
CAS Name: (E)-2-butenedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(propoxymethyl)phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(propoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C42H66N2O12
MOLECULAR WEIGHT: 790.97964
SMILES: CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-44-4
CAS Name: (E)-2-butenedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(pentoxymethyl)phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(pentoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C46H74N2O12
MOLECULAR WEIGHT: 847.08596
SMILES: CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-32-0
CAS Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(methoxymethyl)phenyl]ethanone; oxalic acid
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(methoxymethyl)phenyl]ethanone; oxalic acid
IUPAC Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(methoxymethyl)phenyl]ethanone; oxalic acid
SYSTEMATIC NAME: 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(methoxymethyl)phenyl]ethanone; ethanedioic acid
MOLECULAR FORMULA: C36H56N2O12
MOLECULAR WEIGHT: 708.83604
SMILES: CC(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)COC.CC(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)COC.C(=O)(C(=O)O)O
Structure:
CAS RN: 104450-43-3
CAS Name: (E)-2-butenedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(isopropoxymethyl)phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C42H66N2O12
MOLECULAR WEIGHT: 790.97964
SMILES: CC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-36-4
CAS Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(ethoxymethyl)phenyl]ethanone; oxalic acid
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(ethoxymethyl)phenyl]ethanone; oxalic acid
IUPAC Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(ethoxymethyl)phenyl]ethanone; oxalic acid
SYSTEMATIC NAME: 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(ethoxymethyl)phenyl]ethanone; ethanedioic acid
MOLECULAR FORMULA: C38H60N2O12
MOLECULAR WEIGHT: 736.8892
SMILES: CCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 104450-35-3
CAS Name: (E)-2-butenedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(ethoxymethyl)phenyl]ethanone
OPENEYE Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(ethoxymethyl)phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(ethoxymethyl)phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(ethoxymethyl)phenyl]ethanone
MOLECULAR FORMULA: C40H62N2O12
MOLECULAR WEIGHT: 762.92648
SMILES: CCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-07-9
CAS Name: 1-[3-(butan-2-yloxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone; (E)-2-butenedioic acid
OPENEYE Name: fumaric acid; 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(sec-butoxymethyl)phenyl]ethanone
IUPAC Name: 1-[3-(butan-2-yloxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 1-[3-(butan-2-yloxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C42H66N2O12
MOLECULAR WEIGHT: 790.97964
SMILES: CCC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-03-5
CAS Name: (E)-2-butenedioic acid; 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
OPENEYE Name: 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(butoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-(butoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C42H66N2O12
MOLECULAR WEIGHT: 790.97964
SMILES: CCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.CCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104450-05-7
CAS Name: (E)-2-butenedioic acid; 1-[3-(butoxymethyl)-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone
OPENEYE Name: 1-[3-(butoxymethyl)-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(butoxymethyl)-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-(butoxymethyl)-4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C44H70N2O12
MOLECULAR WEIGHT: 819.0328
SMILES: CCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.CCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 102582-94-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[[4-(trifluoromethyl)phenyl]thio]acetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[4-(trifluoromethyl)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C15H22F3NO5S
MOLECULAR WEIGHT: 385.39909
SMILES: C1=CC(=CC=C1C(F)(F)F)SCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 102582-89-8
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-methylphenyl)sulfonylacetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(p-tolylsulfonyl)acetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-methylphenyl)sulfonylacetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-methylphenyl)sulfonylethanoic acid
MOLECULAR FORMULA: C15H25NO7S
MOLECULAR WEIGHT: 363.4265
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 102582-91-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(4-fluorophenyl)thio]acetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfanylacetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-fluorophenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C14H22FNO5S
MOLECULAR WEIGHT: 335.391583
SMILES: C1=CC(=CC=C1F)SCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 92667-17-9
CAS Name: acetic acid [ethylamino(nitro)methyl] ester
OPENEYE Name: [ethylamino(nitro)methyl] acetate
IUPAC Name: [ethylamino(nitro)methyl] acetate
SYSTEMATIC NAME: [ethylamino(nitro)methyl] ethanoate
MOLECULAR FORMULA: C5H10N2O4
MOLECULAR WEIGHT: 162.1439
SMILES: CCNC([N+](=O)[O-])OC(=O)C
Structure:
CAS RN: 91120-00-2
CAS Name: 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
IUPAC Name: ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-ethyl-3-oxidanylidene-1,4-benzothiazin-6-yl)ethylideneamino]oxyethanoate
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N\OCC(=O)OCC)/C
Structure:
CAS RN: 91119-52-7
CAS Name: 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
IUPAC Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)ethylideneamino]oxyethanoate
MOLECULAR FORMULA: C15H18N2O5
MOLECULAR WEIGHT: 306.31382
SMILES: CCOC(=O)CO/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2C
Structure:
CAS RN: 91119-76-5
CAS Name: 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
IUPAC Name: ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
SYSTEMATIC NAME: ethyl 2-[(Z)-1-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)ethylideneamino]oxyethanoate
MOLECULAR FORMULA: C15H18N2O4S
MOLECULAR WEIGHT: 322.37942
SMILES: CCOC(=O)CO/N=C(/C)\C1=CC2=C(C=C1)SCC(=O)N2C
Structure:
CAS RN: 102582-95-6
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methylphenyl)sulfonylacetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methyl-phenyl)sulfonylacetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methylphenyl)sulfonylacetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloranyl-2-methyl-phenyl)sulfonylethanoic acid
MOLECULAR FORMULA: C15H24ClNO7S
MOLECULAR WEIGHT: 397.87156
SMILES: CC1=C(C=CC(=C1)Cl)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 102582-97-8
CAS Name: 2-(4-chlorophenyl)sulfonylacetic acid; 2-(diethylamino)ethanol
OPENEYE Name: 2-(4-chlorophenyl)sulfonylacetic acid; 2-(diethylamino)ethanol
IUPAC Name: 2-(4-chlorophenyl)sulfonylacetic acid; 2-(diethylamino)ethanol
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfonylethanoic acid; 2-(diethylamino)ethanol
MOLECULAR FORMULA: C14H22ClNO5S
MOLECULAR WEIGHT: 351.84618
SMILES: CCN(CC)CCO.C1=CC(=CC=C1S(=O)(=O)CC(=O)O)Cl
Structure:
CAS RN: 97290-47-6
CAS Name: 2-[[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxopropyl]thio]acetic acid
OPENEYE Name: 2-[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-propyl]sulfanylacetic acid
IUPAC Name: 2-[(2R)-2-acetamido-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxopropyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[(2R)-2-acetamido-3-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-oxidanylidene-propyl]sulfanylethanoic acid
MOLECULAR FORMULA: C21H29Br2N3O4S
MOLECULAR WEIGHT: 579.34566
SMILES: CC(=O)N[C@@H](CSCC(=O)O)C(=O)NC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br
Structure:
CAS RN: 104120-90-3
CAS Name: N-(3-oxo-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)acetamide
OPENEYE Name: N-(3-oxo-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)acetamide
IUPAC Name: N-(3-oxo-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)acetamide
SYSTEMATIC NAME: N-(3-oxidanylidene-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)ethanamide
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CC(=O)NN1C2=C3C=CC=CC3CCC2=CC(=O)N1
Structure:
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