CAS RN: 7462-52-4
CAS Name: 4-methylbenzenesulfonic acid (5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)methyl ester
OPENEYE Name: (5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)methyl 4-methylbenzenesulfonate
IUPAC Name: (5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H19NO4S
MOLECULAR WEIGHT: 345.41276
SMILES: CC1C(N=C(O1)C2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 7462-51-3
CAS Name: N,N'-di(octan-2-yl)oxamide
OPENEYE Name: N,N'-bis(1-methylheptyl)oxamide
IUPAC Name: N,N'-di(octan-2-yl)oxamide
SYSTEMATIC NAME: N,N'-di(octan-2-yl)ethanediamide
MOLECULAR FORMULA: C18H36N2O2
MOLECULAR WEIGHT: 312.49064
SMILES: CCCCCCC(C)NC(=O)C(=O)NC(C)CCCCCC
Structure:
CAS RN: 7462-50-2
CAS Name: N,N'-dioctyloxamide
OPENEYE Name: N,N'-dioctyloxamide
IUPAC Name: N,N'-dioctyloxamide
SYSTEMATIC NAME: N,N'-dioctylethanediamide
MOLECULAR FORMULA: C18H36N2O2
MOLECULAR WEIGHT: 312.49064
SMILES: CCCCCCCCNC(=O)C(=O)NCCCCCCCC
Structure:
CAS RN: 7462-49-9
CAS Name: N-(3-hydroxypentan-2-yl)propanamide
OPENEYE Name: N-(2-hydroxy-1-methyl-butyl)propanamide
IUPAC Name: N-(3-hydroxypentan-2-yl)propanamide
SYSTEMATIC NAME: N-(3-oxidanylpentan-2-yl)propanamide
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CCC(C(C)NC(=O)CC)O
Structure:
CAS RN: 7462-48-8
CAS Name: 4-(methoxymethyl)-5-methyl-2-phenyl-4,5-dihydrooxazole
OPENEYE Name: 4-(methoxymethyl)-5-methyl-2-phenyl-4,5-dihydrooxazole
IUPAC Name: 4-(methoxymethyl)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: 4-(methoxymethyl)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC1C(N=C(O1)C2=CC=CC=C2)COC
Structure:
CAS RN: 7462-47-7
CAS Name: acetic acid (3-acetamido-4-methoxybutan-2-yl) ester
OPENEYE Name: (2-acetamido-3-methoxy-1-methyl-propyl) acetate
IUPAC Name: (3-acetamido-4-methoxybutan-2-yl) acetate
SYSTEMATIC NAME: (3-acetamido-4-methoxy-butan-2-yl) ethanoate
MOLECULAR FORMULA: C9H17NO4
MOLECULAR WEIGHT: 203.23558
SMILES: CC(C(COC)NC(=O)C)OC(=O)C
Structure:
CAS RN: 7462-46-6
CAS Name: 2-[bis(phenylmethyl)amino]butane-1,3-diol
OPENEYE Name: 2-(dibenzylamino)butane-1,3-diol
IUPAC Name: 2-(dibenzylamino)butane-1,3-diol
SYSTEMATIC NAME: 2-[bis(phenylmethyl)amino]butane-1,3-diol
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CC(C(CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O
Structure:
CAS RN: 28306-30-1
CAS Name: 1-[(2-amino-1-naphthalenyl)methyl]-2-naphthalenol
OPENEYE Name: 1-[(2-amino-1-naphthyl)methyl]naphthalen-2-ol
IUPAC Name: 1-[(2-aminonaphthalen-1-yl)methyl]naphthalen-2-ol
SYSTEMATIC NAME: 1-[(2-azanylnaphthalen-1-yl)methyl]naphthalen-2-ol
MOLECULAR FORMULA: C21H17NO
MOLECULAR WEIGHT: 299.36578
SMILES: C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)N
Structure:
CAS RN: 7497-05-4
CAS Name: 4-chloro-2-[[5-chloro-3-[[5-chloro-3-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenol
OPENEYE Name: 4-chloro-2-[[5-chloro-3-[[5-chloro-3-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-2-hydroxy-phenyl]methyl]-2-hydroxy-phenyl]methyl]-6-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenol
IUPAC Name: 4-chloro-2-[[5-chloro-3-[[5-chloro-3-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]phenol
SYSTEMATIC NAME: 4-chloranyl-2-[[5-chloranyl-3-[[5-chloranyl-3-[[5-chloranyl-3-(hydroxymethyl)-2-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]methyl]-6-[[5-chloranyl-3-(hydroxymethyl)-2-oxidanyl-phenyl]methyl]phenol
MOLECULAR FORMULA: C36H29Cl5O7
MOLECULAR WEIGHT: 750.87626
SMILES: C1=C(C=C(C(=C1CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CO)Cl)Cl)O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CO)Cl)Cl)Cl
Structure:
CAS RN: 7497-06-5
CAS Name: 4-chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenol
OPENEYE Name: 4-chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxy-phenyl)methyl]-2-hydroxy-phenyl]methyl]phenol
IUPAC Name: 4-chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenol
SYSTEMATIC NAME: 4-chloranyl-2,6-bis[[5-chloranyl-3-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]methyl]phenol
MOLECULAR FORMULA: C34H25Cl5O5
MOLECULAR WEIGHT: 690.8243
SMILES: C1=CC(=C(C=C1Cl)CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)Cl)CC5=C(C=CC(=C5)Cl)O)O)Cl)Cl)O
Structure:
CAS RN: 7462-44-4
CAS Name: 2,3-bis[[(phenylmethyl)amino]methyl]benzene-1,4-diol
OPENEYE Name: 2,3-bis[(benzylamino)methyl]benzene-1,4-diol
IUPAC Name: 2,3-bis[(benzylamino)methyl]benzene-1,4-diol
SYSTEMATIC NAME: 2,3-bis[[(phenylmethyl)amino]methyl]benzene-1,4-diol
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: C1=CC=C(C=C1)CNCC2=C(C=CC(=C2CNCC3=CC=CC=C3)O)O
Structure:
CAS RN: 7462-43-3
CAS Name: 3-methyl-6-phenylmethoxy-2,4-dihydro-1,3-benzoxazine
OPENEYE Name: 6-benzyloxy-3-methyl-2,4-dihydro-1,3-benzoxazine
IUPAC Name: 3-methyl-6-phenylmethoxy-2,4-dihydro-1,3-benzoxazine
SYSTEMATIC NAME: 3-methyl-6-phenylmethoxy-2,4-dihydro-1,3-benzoxazine
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CN1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)OC1
Structure:
CAS RN: 7770-12-9
CAS Name: 3-(1H-inden-2-yl)-1,2-dimethylindole
OPENEYE Name: 3-(1H-inden-2-yl)-1,2-dimethyl-indole
IUPAC Name: 3-(1H-inden-2-yl)-1,2-dimethylindole
SYSTEMATIC NAME: 3-(1H-inden-2-yl)-1,2-dimethyl-indole
MOLECULAR FORMULA: C19H17N
MOLECULAR WEIGHT: 259.34498
SMILES: CC1=C(C2=CC=CC=C2N1C)C3=CC4=CC=CC=C4C3
Structure:
CAS RN: 7462-42-2
CAS Name: 3-(1H-inden-2-yl)-2-methyl-1H-indole
OPENEYE Name: 3-(1H-inden-2-yl)-2-methyl-1H-indole
IUPAC Name: 3-(1H-inden-2-yl)-2-methyl-1H-indole
SYSTEMATIC NAME: 3-(1H-inden-2-yl)-2-methyl-1H-indole
MOLECULAR FORMULA: C18H15N
MOLECULAR WEIGHT: 245.3184
SMILES: CC1=C(C2=CC=CC=C2N1)C3=CC4=CC=CC=C4C3
Structure:
CAS RN: 19240-65-4
CAS Name: 2-chloro-5-phenyldiazenyl-1-cyclohepta-2,4,6-trienone
OPENEYE Name: 2-chloro-5-phenylazo-cyclohepta-2,4,6-trien-1-one
IUPAC Name: 2-chloro-5-phenyldiazenylcyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-chloranyl-5-phenyldiazenyl-cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C13H9ClN2O
MOLECULAR WEIGHT: 244.67636
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)Cl
Structure:
CAS RN: 7462-41-1
CAS Name: benzoic acid 2,3,4,5,6-pentabenzoyloxyhexyl ester
OPENEYE Name: 2,3,4,5,6-pentabenzoyloxyhexyl benzoate
IUPAC Name: 2,3,4,5,6-pentabenzoyloxyhexyl benzoate
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(phenylcarbonyloxy)hexyl benzoate
MOLECULAR FORMULA: C48H38O12
MOLECULAR WEIGHT: 806.80812
SMILES: C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Structure:
CAS RN: 2588-81-0
CAS Name: benzenesulfonic acid [5-(benzenesulfonyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl ester
OPENEYE Name: [5-(benzenesulfonyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl benzenesulfonate
IUPAC Name: [5-(benzenesulfonyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl benzenesulfonate
SYSTEMATIC NAME: [2-phenyl-5-(phenylsulfonyloxymethyl)-1,3-dioxan-5-yl]methyl benzenesulfonate
MOLECULAR FORMULA: C24H24O8S2
MOLECULAR WEIGHT: 504.57256
SMILES: C1C(COC(O1)C2=CC=CC=C2)(COS(=O)(=O)C3=CC=CC=C3)COS(=O)(=O)C4=CC=CC=C4
Structure:
CAS RN: 7462-38-6
CAS Name: benzoic acid (4-benzoyloxy-1,2,5,6-tetrahydroxyhexan-3-yl) ester
OPENEYE Name: [2-benzoyloxy-1-(1,2-dihydroxyethyl)-3,4-dihydroxy-butyl] benzoate
IUPAC Name: (4-benzoyloxy-1,2,5,6-tetrahydroxyhexan-3-yl) benzoate
SYSTEMATIC NAME: [1,2,5,6-tetrakis(oxidanyl)-4-(phenylcarbonyloxy)hexan-3-yl] benzoate
MOLECULAR FORMULA: C20H22O8
MOLECULAR WEIGHT: 390.38388
SMILES: C1=CC=C(C=C1)C(=O)OC(C(CO)O)C(C(CO)O)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 7462-36-4
CAS Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
OPENEYE Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
IUPAC Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
SYSTEMATIC NAME: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
MOLECULAR FORMULA: C11H13BO2
MOLECULAR WEIGHT: 188.03072
SMILES: B1(OC2CCCC2O1)C3=CC=CC=C3
Structure:
CAS RN: 7462-37-5
CAS Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
OPENEYE Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
IUPAC Name: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
SYSTEMATIC NAME: 2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
MOLECULAR FORMULA: C11H13BO2
MOLECULAR WEIGHT: 188.03072
SMILES: B1(OC2CCCC2O1)C3=CC=CC=C3
Structure:
CAS RN: 7462-35-3
CAS Name: 2-phenyl-1,3,2-oxazaborolidine
OPENEYE Name: 2-phenyl-1,3,2-oxazaborolidine
IUPAC Name: 2-phenyl-1,3,2-oxazaborolidine
SYSTEMATIC NAME: 2-phenyl-1,3,2-oxazaborolidine
MOLECULAR FORMULA: C8H10BNO
MOLECULAR WEIGHT: 146.9821
SMILES: B1(NCCO1)C2=CC=CC=C2
Structure:
CAS RN: 7462-33-1
CAS Name: 1-methoxy-1-(4-phenylphenyl)-2-butanone
OPENEYE Name: 1-methoxy-1-(4-phenylphenyl)butan-2-one
IUPAC Name: 1-methoxy-1-(4-phenylphenyl)butan-2-one
SYSTEMATIC NAME: 1-methoxy-1-(4-phenylphenyl)butan-2-one
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: CCC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2)OC
Structure:
CAS RN: 7462-32-0
CAS Name: 1-methoxy-1-(4-phenylphenyl)-2-propanone
OPENEYE Name: 1-methoxy-1-(4-phenylphenyl)propan-2-one
IUPAC Name: 1-methoxy-1-(4-phenylphenyl)propan-2-one
SYSTEMATIC NAME: 1-methoxy-1-(4-phenylphenyl)propan-2-one
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2)OC
Structure:
CAS RN: 7472-80-2
CAS Name: 2,2,2-trichloroacetic acid (3,3-dimethoxy-2-methylbutan-2-yl) ester
OPENEYE Name: (2,2-dimethoxy-1,1-dimethyl-propyl) 2,2,2-trichloroacetate
IUPAC Name: (3,3-dimethoxy-2-methylbutan-2-yl) 2,2,2-trichloroacetate
SYSTEMATIC NAME: (3,3-dimethoxy-2-methyl-butan-2-yl) 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C9H15Cl3O4
MOLECULAR WEIGHT: 293.572
SMILES: CC(C)(C(C)(OC)OC)OC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 2442-13-9
CAS Name: 3,3-dimethoxy-2-methyl-2-butanol
OPENEYE Name: 3,3-dimethoxy-2-methyl-butan-2-ol
IUPAC Name: 3,3-dimethoxy-2-methylbutan-2-ol
SYSTEMATIC NAME: 3,3-dimethoxy-2-methyl-butan-2-ol
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CC(C)(C(C)(OC)OC)O
Structure:
CAS RN: 2648-71-7
CAS Name: 3-bromo-3-methyl-2-butanone
OPENEYE Name: 3-bromo-3-methyl-butan-2-one
IUPAC Name: 3-bromo-3-methylbutan-2-one
SYSTEMATIC NAME: 3-bromanyl-3-methyl-butan-2-one
MOLECULAR FORMULA: C5H9BrO
MOLECULAR WEIGHT: 165.02836
SMILES: CC(=O)C(C)(C)Br
Structure:
CAS RN: 7494-86-2
CAS Name: 4-nitrobenzoic acid [1-methoxy-2-methyl-1-(4-phenylphenyl)butan-2-yl] ester
OPENEYE Name: [1-[methoxy-(4-phenylphenyl)methyl]-1-methyl-propyl] 4-nitrobenzoate
IUPAC Name: [1-methoxy-2-methyl-1-(4-phenylphenyl)butan-2-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [1-methoxy-2-methyl-1-(4-phenylphenyl)butan-2-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C25H25NO5
MOLECULAR WEIGHT: 419.4697
SMILES: CCC(C)(C(C1=CC=C(C=C1)C2=CC=CC=C2)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 7494-85-1
CAS Name: acetic acid (2,2-dimethoxycyclohexyl) ester
OPENEYE Name: (2,2-dimethoxycyclohexyl) acetate
IUPAC Name: (2,2-dimethoxycyclohexyl) acetate
SYSTEMATIC NAME: (2,2-dimethoxycyclohexyl) ethanoate
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC(=O)OC1CCCCC1(OC)OC
Structure:
CAS RN: 7472-78-8
CAS Name: 2-methoxy-N,2-diphenylacetamide
OPENEYE Name: 2-methoxy-N,2-diphenyl-acetamide
IUPAC Name: 2-methoxy-N,2-diphenylacetamide
SYSTEMATIC NAME: 2-methoxy-N,2-diphenyl-ethanamide
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: COC(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 1030-23-5
CAS Name: benzoic acid (1-oxo-1-phenylpropan-2-yl) ester
OPENEYE Name: (1-methyl-2-oxo-2-phenyl-ethyl) benzoate
IUPAC Name: (1-oxo-1-phenylpropan-2-yl) benzoate
SYSTEMATIC NAME: (1-oxidanylidene-1-phenyl-propan-2-yl) benzoate
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 7598-84-7
CAS Name: 2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]acetic acid
OPENEYE Name: 2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C20H26N6O9
MOLECULAR WEIGHT: 494.45524
SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Structure:
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