CAS RN: 4562-22-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H33NO4
MOLECULAR WEIGHT: 411.53382
SMILES: CCCC(C)(C1CC23C=CC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
Structure:
CAS RN: 4561-10-8
CAS Name: (2S)-2-aminopentanedioic acid bis(phenylmethyl) ester hydrochloride
OPENEYE Name: dibenzyl (2S)-2-aminopentanedioate hydrochloride
IUPAC Name: dibenzyl (2S)-2-aminopentanedioate hydrochloride
SYSTEMATIC NAME: bis(phenylmethyl) (2S)-2-azanylpentanedioate hydrochloride
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)OCC2=CC=CC=C2)N.Cl
Structure:
CAS RN: 4553-78-0
CAS Name: 2-phenoxyacetic acid [1-(4-morpholinyl)-3-phenylpentan-3-yl] ester hydrochloride
OPENEYE Name: (1-ethyl-3-morpholino-1-phenyl-propyl) 2-phenoxyacetate hydrochloride
IUPAC Name: (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenoxyacetate hydrochloride
SYSTEMATIC NAME: (1-morpholin-4-yl-3-phenyl-pentan-3-yl) 2-phenoxyethanoate hydrochloride
MOLECULAR FORMULA: C23H30ClNO4
MOLECULAR WEIGHT: 419.9416
SMILES: CCC(CCN1CCOCC1)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.Cl
Structure:
CAS RN: 4550-68-9
CAS Name: N-(1-cyanocyclohexyl)acetamide
OPENEYE Name: N-(1-cyanocyclohexyl)acetamide
IUPAC Name: N-(1-cyanocyclohexyl)acetamide
SYSTEMATIC NAME: N-(1-cyanocyclohexyl)ethanamide
MOLECULAR FORMULA: C9H14N2O
MOLECULAR WEIGHT: 166.22026
SMILES: CC(=O)NC1(CCCCC1)C#N
Structure:
CAS RN: 4547-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: C[C@@H]1[C@@H]2CC(=O)O[C@H]3C24[C@@H]([C@@]5([C@@H](C3)C(CC(=O)[C@H]5O)C)C)[C@@]([C@@H]1O)(CO4)O
Structure:
CAS RN: 4535-76-6
CAS Name: 2-(dipropylamino)ethanol hydrochloride
OPENEYE Name: 2-(dipropylamino)ethanol hydrochloride
IUPAC Name: 2-(dipropylamino)ethanol hydrochloride
SYSTEMATIC NAME: 2-(dipropylamino)ethanol hydrochloride
MOLECULAR FORMULA: C8H20ClNO
MOLECULAR WEIGHT: 181.7035
SMILES: CCCN(CCC)CCO.Cl
Structure:
CAS RN: 4533-03-3
CAS Name: 1-[dibromo-(4-methylphenyl)-$l^{4}-tellanyl]-4-methylbenzene
OPENEYE Name: 1-[dibromo(p-tolyl)-$l^{4}-tellanyl]-4-methyl-benzene
IUPAC Name: 1-[dibromo-(4-methylphenyl)-$l^{4}-tellanyl]-4-methylbenzene
SYSTEMATIC NAME: 1-[bis(bromanyl)-(4-methylphenyl)-$l^{4}-tellanyl]-4-methyl-benzene
MOLECULAR FORMULA: C14H14Br2Te
MOLECULAR WEIGHT: 469.66896
SMILES: CC1=CC=C(C=C1)[Te](C2=CC=C(C=C2)C)(Br)Br
Structure:
CAS RN: 4528-52-3
CAS Name: (2S)-N-methyl-1-phenyl-N-prop-2-ynyl-2-propanamine hydrochloride
OPENEYE Name: (2S)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine hydrochloride
IUPAC Name: (2S)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine hydrochloride
SYSTEMATIC NAME: (2S)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: C[C@@H](CC1=CC=CC=C1)N(C)CC#C.Cl
Structure:
CAS RN: 4520-25-6
CAS Name: 2-(ethenylthio)ethyl-tripropylsilane
OPENEYE Name: tripropyl(2-vinylsulfanylethyl)silane
IUPAC Name: 2-ethenylsulfanylethyl(tripropyl)silane
SYSTEMATIC NAME: 2-ethenylsulfanylethyl(tripropyl)silane
MOLECULAR FORMULA: C13H28SSi
MOLECULAR WEIGHT: 244.51192
SMILES: CCC[Si](CCC)(CCC)CCSC=C
Structure:
CAS RN: 4511-38-0
CAS Name: 6-methoxy-1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
OPENEYE Name: 6-methoxy-1-(4-pyridyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
IUPAC Name: 6-methoxy-1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 6-methoxy-1-pyridin-4-yl-4,9-dihydro-3H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C17H15N3O
MOLECULAR WEIGHT: 277.3205
SMILES: COC1=CC2=C(C=C1)NC3=C2CCN=C3C4=CC=NC=C4
Structure:
CAS RN: 4511-19-7
CAS Name: carbonochloridic acid (2,4,6-trichlorophenyl) ester
OPENEYE Name: (2,4,6-trichlorophenyl) carbonochloridate
IUPAC Name: (2,4,6-trichlorophenyl) carbonochloridate
SYSTEMATIC NAME: [2,4,6-tris(chloranyl)phenyl] carbonochloridate
MOLECULAR FORMULA: C7H2Cl4O2
MOLECULAR WEIGHT: 259.90158
SMILES: C1=C(C=C(C(=C1Cl)OC(=O)Cl)Cl)Cl
Structure:
CAS RN: 4508-11-6
CAS Name: 2-methyl-2-[(4-methylphenoxy)methyl]propane-1,3-diol
OPENEYE Name: 2-methyl-2-[(4-methylphenoxy)methyl]propane-1,3-diol
IUPAC Name: 2-methyl-2-[(4-methylphenoxy)methyl]propane-1,3-diol
SYSTEMATIC NAME: 2-methyl-2-[(4-methylphenoxy)methyl]propane-1,3-diol
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CC1=CC=C(C=C1)OCC(C)(CO)CO
Structure:
CAS RN: 4501-70-6
CAS Name: 3-[methyl(2-phenylethyl)amino]-1-phenyl-1-(2-pyridinyl)-1-propanol; oxalic acid
OPENEYE Name: 3-[methyl(2-phenylethyl)amino]-1-phenyl-1-(2-pyridyl)propan-1-ol; oxalic acid
IUPAC Name: 3-[methyl(2-phenylethyl)amino]-1-phenyl-1-pyridin-2-ylpropan-1-ol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 3-[methyl(2-phenylethyl)amino]-1-phenyl-1-pyridin-2-yl-propan-1-ol
MOLECULAR FORMULA: C25H28N2O5
MOLECULAR WEIGHT: 436.50022
SMILES: CN(CCC1=CC=CC=C1)CCC(C2=CC=CC=C2)(C3=CC=CC=N3)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 4492-26-6
CAS Name: (1R,3R,4S)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
OPENEYE Name: (1R,3R,4S)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
IUPAC Name: (1R,3R,4S)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
SYSTEMATIC NAME: (1R,3R,4S)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
MOLECULAR FORMULA: C9H18IN
MOLECULAR WEIGHT: 267.15039
SMILES: CC[N@@+]1(C[C@@H]2CC[C@H]1C2)C.[I-]
Structure:
CAS RN: 4483-00-5
CAS Name: N-[2-(dimethylamino)-2-oxoethyl]benzamide
OPENEYE Name: N-[2-(dimethylamino)-2-oxo-ethyl]benzamide
IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CN(C)C(=O)CNC(=O)C1=CC=CC=C1
Structure:
CAS RN: 4477-75-2
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
Structure:
CAS RN: 4472-74-6
CAS Name: N,N-diethyl-6-oxo-1-(2-thiazolyl)-3-pyridinecarboxamide
OPENEYE Name: N,N-diethyl-6-oxo-1-thiazol-2-yl-pyridine-3-carboxamide
IUPAC Name: N,N-diethyl-6-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N,N-diethyl-6-oxidanylidene-1-(1,3-thiazol-2-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C13H15N3O2S
MOLECULAR WEIGHT: 277.3421
SMILES: CCN(CC)C(=O)C1=CN(C(=O)C=C1)C2=NC=CS2
Structure:
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