CAS RN: 133305-88-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H75NO14
MOLECULAR WEIGHT: 914.1288
SMILES: CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C
Structure:
CAS RN: 132747-47-8
CAS Name: calcium; (Z)-7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]-5-heptenoate; (E)-7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]-5-heptenoate
OPENEYE Name: calcium; (Z)-7-[3-(benzenesulfonamido)norbornan-2-yl]hept-5-enoate; (E)-7-[3-(benzenesulfonamido)norbornan-2-yl]hept-5-enoate
IUPAC Name: calcium; (Z)-7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate; (E)-7-[3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
SYSTEMATIC NAME: calcium; (Z)-7-[3-(phenylsulfonylamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate; (E)-7-[3-(phenylsulfonylamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
MOLECULAR FORMULA: C40H52CaN2O8S2
MOLECULAR WEIGHT: 793.05748
SMILES: C1CC2CC1C(C2NS(=O)(=O)C3=CC=CC=C3)C/C=C/CCCC(=O)[O-].C1CC2CC1C(C2NS(=O)(=O)C3=CC=CC=C3)C/C=C\CCCC(=O)[O-].[Ca+2]
Structure:
CAS RN: 127378-46-5
CAS Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]thiazolidine-2,4-dione
OPENEYE Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione
IUPAC Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: (5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C18H23NO3S
MOLECULAR WEIGHT: 333.44512
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)NC(=O)S2
Structure:
CAS RN: 122588-63-0
CAS Name: (6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecin-2,8-dione
OPENEYE Name: (6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione
IUPAC Name: (6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione
SYSTEMATIC NAME: (6Z)-4-methyl-9,11-bis(oxidanyl)-4,5-dihydro-1H-3-benzoxecine-2,8-dione
MOLECULAR FORMULA: C14H14O5
MOLECULAR WEIGHT: 262.25796
SMILES: CC1C/C=C\C(=O)C2=C(C=C(C=C2CC(=O)O1)O)O
Structure:
CAS RN: 120444-74-8
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-[[(1R,3R,4R)-4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl]oxy]ethanamine
OPENEYE Name: N,N-dimethyl-2-[(1R,2R,4R)-1,7,7-trimethyl-2-phenyl-norbornan-2-yl]oxy-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-[[(1R,3R,4R)-4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-2-[[(1R,3R,4R)-4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl]oxy]ethanamine
MOLECULAR FORMULA: C24H35NO5
MOLECULAR WEIGHT: 417.5384
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@]2(C3=CC=CC=C3)OCCN(C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 104233-53-6
CAS Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione
OPENEYE Name: 2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
IUPAC Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[[(E)-3-chloranylprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C17H26ClNO3S
MOLECULAR WEIGHT: 359.91124
SMILES: CCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOC/C=C/Cl
Structure:
CAS RN: 110429-62-4
CAS Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione
OPENEYE Name: 2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
IUPAC Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[[(E)-3-chloranylprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C17H26ClNO3S
MOLECULAR WEIGHT: 359.91124
SMILES: CCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOC/C=C/Cl
Structure:
CAS RN: 99129-21-2
CAS Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-dione
OPENEYE Name: 2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
IUPAC Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[[(E)-3-chloranylprop-2-enoxy]amino]propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C17H26ClNO3S
MOLECULAR WEIGHT: 359.91124
SMILES: CCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOC/C=C/Cl
Structure:
CAS RN: 105563-53-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O10
MOLECULAR WEIGHT: 546.60602
SMILES: CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5O)O2)C)C(C)O)C
Structure:
CAS RN: 99400-75-6
CAS Name: (Z)-9-octadecen-1-amine; 2H-1,2,4-triazine-3,5-dione
OPENEYE Name: (Z)-octadec-9-en-1-amine; 2H-1,2,4-triazine-3,5-dione
IUPAC Name: (Z)-octadec-9-en-1-amine; 2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: (Z)-octadec-9-en-1-amine; 2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C21H40N4O2
MOLECULAR WEIGHT: 380.5679
SMILES: CCCCCCCC/C=C\CCCCCCCCN.C1=NNC(=O)NC1=O
Structure:
CAS RN: 97205-35-1
CAS Name: 4-(aminomethyl)-1-(phenylmethyl)-2-pyrrolidinone; (E)-2-butenedioic acid
OPENEYE Name: 4-(aminomethyl)-1-benzyl-pyrrolidin-2-one; fumaric acid
IUPAC Name: 4-(aminomethyl)-1-benzylpyrrolidin-2-one; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-2-one; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C28H36N4O6
MOLECULAR WEIGHT: 524.60864
SMILES: C1C(CN(C1=O)CC2=CC=CC=C2)CN.C1C(CN(C1=O)CC2=CC=CC=C2)CN.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 80937-23-1
CAS Name: (E)-4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C12H12O5
MOLECULAR WEIGHT: 236.22068
SMILES: COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC
Structure:
CAS RN: 73928-04-8
CAS Name: 2-methyl-4-[(E)-2-phenylethenyl]aniline
OPENEYE Name: 2-methyl-4-[(E)-styryl]aniline
IUPAC Name: 2-methyl-4-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: 2-methyl-4-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=C(C=CC(=C1)/C=C/C2=CC=CC=C2)N
Structure:
CAS RN: 73928-03-7
CAS Name: 3-methyl-4-[(E)-2-phenylethenyl]aniline
OPENEYE Name: 3-methyl-4-[(E)-styryl]aniline
IUPAC Name: 3-methyl-4-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: 3-methyl-4-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=C(C=CC(=C1)N)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 73928-01-5
CAS Name: 2-chloro-4-[(E)-2-phenylethenyl]aniline
OPENEYE Name: 2-chloro-4-[(E)-styryl]aniline
IUPAC Name: 2-chloro-4-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: 2-chloranyl-4-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C14H12ClN
MOLECULAR WEIGHT: 229.70478
SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)N)Cl
Structure:
CAS RN: 73926-92-8
CAS Name: 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline
OPENEYE Name: 4-[(E)-2-(4-amino-3-chloro-phenyl)vinyl]-2-chloro-aniline
IUPAC Name: 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline
SYSTEMATIC NAME: 4-[(E)-2-(4-azanyl-3-chloranyl-phenyl)ethenyl]-2-chloranyl-aniline
MOLECULAR FORMULA: C14H12Cl2N2
MOLECULAR WEIGHT: 279.16448
SMILES: C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2)N)Cl)Cl)N
Structure:
CAS RN: 73926-91-7
CAS Name: 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline
OPENEYE Name: 4-[(E)-2-(4-amino-2-chloro-phenyl)vinyl]-3-chloro-aniline
IUPAC Name: 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline
SYSTEMATIC NAME: 4-[(E)-2-(4-azanyl-2-chloranyl-phenyl)ethenyl]-3-chloranyl-aniline
MOLECULAR FORMULA: C14H12Cl2N2
MOLECULAR WEIGHT: 279.16448
SMILES: C1=CC(=C(C=C1N)Cl)/C=C/C2=C(C=C(C=C2)N)Cl
Structure:
CAS RN: 70931-19-0
CAS Name: (Z)-2-butenedioic acid; 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[4-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C31H37FN2O9S
MOLECULAR WEIGHT: 632.696883
SMILES: CC(C1=CC2=C(SC3=C(C=CC(=C3)F)CC2N4CCN(CC4)CCO)C=C1)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 70424-79-2
CAS Name: (E)-2-butenedioic acid; N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-diethyl-2-[(4,7,7-trimethyl-5-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
MOLECULAR FORMULA: C21H35NO5
MOLECULAR WEIGHT: 381.5063
SMILES: CCN(CC)CCOCC1C2C(C2(C)C)CC=C1C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 65700-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O7
MOLECULAR WEIGHT: 472.57054
SMILES: C/C=C(/C)\C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)COC(=O)C)O)C
Structure:
CAS RN: 64036-86-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32ClN3O4
MOLECULAR WEIGHT: 473.99228
SMILES: C\1CC2C(=C3C=CC(=O)C=C3O2)CCC(=O)NCC4CC(C=C4)NCC(=O)CNC/C=C1.Cl
Structure:
CAS RN: 63739-93-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O8
MOLECULAR WEIGHT: 486.55406
SMILES: CC1CCOC(=O)/C=C/C=C/C(=O)OC2CC3C(=C)C2(C4(CCC(=CC4O3)C)COC(=O)C1O)C
Structure:
CAS RN: 62885-98-7
CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [1-[4-methyl-7-[[4-morpholinyl(oxo)methyl]amino]-2-oxo-1-benzopyran-3-yl]-3-(4-morpholinyl)propan-2-yl] ester hydrochloride
OPENEYE Name: [1-[[4-methyl-7-(morpholine-4-carbonylamino)-2-oxo-chromen-3-yl]methyl]-2-morpholino-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate hydrochloride
IUPAC Name: [1-[4-methyl-7-(morpholine-4-carbonylamino)-2-oxochromen-3-yl]-3-morpholin-4-ylpropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate hydrochloride
SYSTEMATIC NAME: [1-[4-methyl-7-(morpholin-4-ylcarbonylamino)-2-oxidanylidene-chromen-3-yl]-3-morpholin-4-yl-propan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate hydrochloride
MOLECULAR FORMULA: C34H42ClN3O10
MOLECULAR WEIGHT: 688.16438
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)NC(=O)N3CCOCC3)CC(CN4CCOCC4)OC(=O)/C=C/C5=CC(=C(C(=C5)OC)OC)OC.Cl
Structure:
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