CAS RN: 3055-74-1
CAS Name: 2-(2-chloroethoxy)-1,3,2-dioxaphospholane
OPENEYE Name: 2-(2-chloroethoxy)-1,3,2-dioxaphospholane
IUPAC Name: 2-(2-chloroethoxy)-1,3,2-dioxaphospholane
SYSTEMATIC NAME: 2-(2-chloroethyloxy)-1,3,2-dioxaphospholane
MOLECULAR FORMULA: C4H8ClO3P
MOLECULAR WEIGHT: 170.531281
SMILES: C1COP(O1)OCCCl
Structure:
CAS RN: 3042-78-2
CAS Name: 4,4-diethyl-3-phenyl-2-morpholin-4-iumone bromide
OPENEYE Name: 4,4-diethyl-3-phenyl-morpholin-4-ium-2-one bromide
IUPAC Name: 4,4-diethyl-3-phenylmorpholin-4-ium-2-one bromide
SYSTEMATIC NAME: 4,4-diethyl-3-phenyl-morpholin-4-ium-2-one bromide
MOLECULAR FORMULA: C14H20BrNO2
MOLECULAR WEIGHT: 314.2181
SMILES: CC[N+]1(CCOC(=O)C1C2=CC=CC=C2)CC.[Br-]
Structure:
CAS RN: 3042-21-5
CAS Name: 2-methyl-5-phenyl-1H-pyrrole
OPENEYE Name: 2-methyl-5-phenyl-1H-pyrrole
IUPAC Name: 2-methyl-5-phenyl-1H-pyrrole
SYSTEMATIC NAME: 2-methyl-5-phenyl-1H-pyrrole
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CC=C(N1)C2=CC=CC=C2
Structure:
CAS RN: 3031-98-9
CAS Name: (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid methyl ester
OPENEYE Name: methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxo-hexanoate
IUPAC Name: methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
SYSTEMATIC NAME: methyl (3S,4R,5S)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C7H12O7
MOLECULAR WEIGHT: 208.16598
SMILES: COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
Structure:
CAS RN: 151377-73-0
CAS Name: (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid methyl ester
OPENEYE Name: methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxo-hexanoate
IUPAC Name: methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
SYSTEMATIC NAME: methyl (3S,4R,5S)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C7H12O7
MOLECULAR WEIGHT: 208.16598
SMILES: COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
Structure:
CAS RN: 3031-47-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H27N3O
MOLECULAR WEIGHT: 325.44788
SMILES: CCN(CC)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
Structure:
CAS RN: 3015-84-7
CAS Name: 5-[ethoxy-(4-nitrophenoxy)phosphoryl]-1-pentanamine
OPENEYE Name: 5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine
IUPAC Name: 5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine
SYSTEMATIC NAME: 5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine
MOLECULAR FORMULA: C13H21N2O5P
MOLECULAR WEIGHT: 316.290001
SMILES: CCOP(=O)(CCCCCN)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 3015-82-5
CAS Name: 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
OPENEYE Name: 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitro-benzene
IUPAC Name: 1-[6-chlorohexyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
SYSTEMATIC NAME: 1-[6-chloranylhexyl(ethoxy)phosphoryl]oxy-4-nitro-benzene
MOLECULAR FORMULA: C14H21ClNO5P
MOLECULAR WEIGHT: 349.747001
SMILES: CCOP(=O)(CCCCCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 3015-41-6
CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1-ethyl-1-piperidin-1-iumyl)ethyl ester iodide
OPENEYE Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
SYSTEMATIC NAME: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
MOLECULAR FORMULA: C19H30INO5
MOLECULAR WEIGHT: 479.34967
SMILES: CC[N+]1(CCCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[I-]
Structure:
CAS RN: 2990-38-7
CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylpiperidin-1-ium iodide
OPENEYE Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-piperidin-1-ium iodide
IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C16H24INO3
MOLECULAR WEIGHT: 405.27113
SMILES: C[N+]1(CCCCC1)CCOC2=CC=CC3=C2OCCO3.[I-]
Structure:
CAS RN: 2990-22-9
CAS Name: methanesulfonic acid 3-[3-methylsulfonyloxypropyl-(phenylmethyl)amino]propyl ester hydrochloride
OPENEYE Name: 3-[benzyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[benzyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[3-methylsulfonyloxypropyl-(phenylmethyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C15H26ClNO6S2
MOLECULAR WEIGHT: 415.95304
SMILES: CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)CC1=CC=CC=C1.Cl
Structure:
CAS RN: 2990-21-8
CAS Name: methanesulfonic acid 3-[cyclohexyl(3-methylsulfonyloxypropyl)amino]propyl ester hydrochloride
OPENEYE Name: 3-[cyclohexyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
IUPAC Name: 3-[cyclohexyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
SYSTEMATIC NAME: 3-[cyclohexyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride
MOLECULAR FORMULA: C14H30ClNO6S2
MOLECULAR WEIGHT: 407.9741
SMILES: CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)C1CCCCC1.Cl
Structure:
CAS RN: 2989-24-4
CAS Name: 2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl-ethylamino]ethanol hydrochloride
OPENEYE Name: 2-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl-ethyl-amino]ethanol hydrochloride
IUPAC Name: 2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl-ethylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl-ethyl-amino]ethanol hydrochloride
MOLECULAR FORMULA: C17H29Cl2NO2
MOLECULAR WEIGHT: 350.32366
SMILES: CCN(CCO)CC(C)OC1=C(C=C(C(=C1)C)Cl)C(C)C.Cl
Structure:
CAS RN: 2989-21-1
CAS Name: N-(2-chloroethyl)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-N-ethyl-propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-N-(2-chloroethyl)-N-ethyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H28Cl3NO
MOLECULAR WEIGHT: 368.76932
SMILES: CCN(CCCl)C(C)COC1=C(C=C(C(=C1)C)Cl)C(C)C.Cl
Structure:
CAS RN: 51179-05-6
CAS Name: 2-(4-phenylmethoxyphenyl)ethanamine
OPENEYE Name: 2-(4-benzyloxyphenyl)ethanamine
IUPAC Name: 2-(4-phenylmethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(4-phenylmethoxyphenyl)ethanamine
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN
Structure:
CAS RN: 2982-54-9
CAS Name: 2-(4-phenylmethoxyphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(4-benzyloxyphenyl)ethanamine hydrochloride
IUPAC Name: 2-(4-phenylmethoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-phenylmethoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C15H18ClNO
MOLECULAR WEIGHT: 263.76252
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN.Cl
Structure:
CAS RN: 2982-16-3
CAS Name: 4-hydroxy-5,6,7-trimethoxy-2-naphthalenecarboxylic acid
OPENEYE Name: 4-hydroxy-5,6,7-trimethoxy-naphthalene-2-carboxylic acid
IUPAC Name: 4-hydroxy-5,6,7-trimethoxynaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 5,6,7-trimethoxy-4-oxidanyl-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C14H14O6
MOLECULAR WEIGHT: 278.25736
SMILES: COC1=CC2=CC(=CC(=C2C(=C1OC)OC)O)C(=O)O
Structure:
CAS RN: 2981-31-9
CAS Name: 1-(1-phenylcyclohexyl)piperidine hydrobromide
OPENEYE Name: 1-(1-phenylcyclohexyl)piperidine hydrobromide
IUPAC Name: 1-(1-phenylcyclohexyl)piperidine hydrobromide
SYSTEMATIC NAME: 1-(1-phenylcyclohexyl)piperidine hydrobromide
MOLECULAR FORMULA: C17H26BrN
MOLECULAR WEIGHT: 324.29904
SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3.Br
Structure:
CAS RN: 2975-99-7
CAS Name: 1-(2-furanyl)-3-phenyl-2-propyn-1-one
OPENEYE Name: 1-(2-furyl)-3-phenyl-prop-2-yn-1-one
IUPAC Name: 1-(furan-2-yl)-3-phenylprop-2-yn-1-one
SYSTEMATIC NAME: 1-(furan-2-yl)-3-phenyl-prop-2-yn-1-one
MOLECULAR FORMULA: C13H8O2
MOLECULAR WEIGHT: 196.20142
SMILES: C1=CC=C(C=C1)C#CC(=O)C2=CC=CO2
Structure:
CAS RN: 2971-61-1
CAS Name: 2-chloro-2-(4-chlorophenyl)-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-chloro-2-(4-chlorophenyl)-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-chloro-2-(4-chlorophenyl)-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-2-(4-chlorophenyl)-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C10H14Cl3N
MOLECULAR WEIGHT: 254.58386
SMILES: CN(C)CC(C1=CC=C(C=C1)Cl)Cl.Cl
Structure:
CAS RN: 2971-27-9
CAS Name: carbonic acid butyl (6-oxo-1H-pyridazin-3-yl) ester
OPENEYE Name: butyl (6-oxo-1H-pyridazin-3-yl) carbonate
IUPAC Name: butyl (6-oxo-1H-pyridazin-3-yl) carbonate
SYSTEMATIC NAME: butyl (6-oxidanylidene-1H-pyridazin-3-yl) carbonate
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: CCCCOC(=O)OC1=NNC(=O)C=C1
Structure:
CAS RN: 2970-80-1
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: CN(C)CC(=O)C1=CC2=C(C=C1)OCO2.Cl
Structure:
CAS RN: 2964-23-0
CAS Name: N-(1-phenylpropan-2-yl)-3-pyridinecarboxamide; phosphoric acid
OPENEYE Name: N-(1-methyl-2-phenyl-ethyl)pyridine-3-carboxamide; phosphoric acid
IUPAC Name: N-(1-phenylpropan-2-yl)pyridine-3-carboxamide; phosphoric acid
SYSTEMATIC NAME: N-(1-phenylpropan-2-yl)pyridine-3-carboxamide; phosphoric acid
MOLECULAR FORMULA: C15H22N2O9P2
MOLECULAR WEIGHT: 436.290702
SMILES: CC(CC1=CC=CC=C1)NC(=O)C2=CN=CC=C2.OP(=O)(O)O.OP(=O)(O)O
Structure:
CAS RN: 2963-64-6
CAS Name: 2-(2-methylphenyl)-1H-benzimidazole
OPENEYE Name: 2-(o-tolyl)-1H-benzimidazole
IUPAC Name: 2-(2-methylphenyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(2-methylphenyl)-1H-benzimidazole
MOLECULAR FORMULA: C14H12N2
MOLECULAR WEIGHT: 208.25848
SMILES: CC1=CC=CC=C1C2=NC3=CC=CC=C3N2
Structure:
CAS RN: 2962-14-3
CAS Name: 4-[(2S,3R)-3-(4-hydroxyphenyl)butan-2-yl]phenol
OPENEYE Name: 4-[(1S,2R)-2-(4-hydroxyphenyl)-1-methyl-propyl]phenol
IUPAC Name: 4-[(2S,3R)-3-(4-hydroxyphenyl)butan-2-yl]phenol
SYSTEMATIC NAME: 4-[(2S,3R)-3-(4-hydroxyphenyl)butan-2-yl]phenol
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: C[C@H](C1=CC=C(C=C1)O)[C@@H](C)C2=CC=C(C=C2)O
Structure:
CAS RN: 2959-34-4
CAS Name: 2-ethyl-3-phenanthro[9,10-e][1,2,4]triazinimine hydrochloride
OPENEYE Name: 2-ethylphenanthro[9,10-e][1,2,4]triazin-3-imine hydrochloride
IUPAC Name: 2-ethylphenanthro[9,10-e][1,2,4]triazin-3-imine hydrochloride
SYSTEMATIC NAME: 2-ethylphenanthro[9,10-e][1,2,4]triazin-3-imine hydrochloride
MOLECULAR FORMULA: C17H15ClN4
MOLECULAR WEIGHT: 310.7808
SMILES: CCN1C(=N)N=C2C3=CC=CC=C3C4=CC=CC=C4C2=N1.Cl
Structure:
CAS RN: 2953-80-2
CAS Name: 4,6,6-trimethyl-1,3-thiazin-2-amine hydrochloride
OPENEYE Name: 4,6,6-trimethyl-1,3-thiazin-2-amine hydrochloride
IUPAC Name: 4,6,6-trimethyl-1,3-thiazin-2-amine hydrochloride
SYSTEMATIC NAME: 4,6,6-trimethyl-1,3-thiazin-2-amine hydrochloride
MOLECULAR FORMULA: C7H13ClN2S
MOLECULAR WEIGHT: 192.70952
SMILES: CC1=CC(SC(=N1)N)(C)C.Cl
Structure:
CAS RN: 2953-79-9
CAS Name: 4,6,6-trimethyl-N-phenyl-1,3-thiazin-2-amine hydrochloride
OPENEYE Name: 4,6,6-trimethyl-N-phenyl-1,3-thiazin-2-amine hydrochloride
IUPAC Name: 4,6,6-trimethyl-N-phenyl-1,3-thiazin-2-amine hydrochloride
SYSTEMATIC NAME: 4,6,6-trimethyl-N-phenyl-1,3-thiazin-2-amine hydrochloride
MOLECULAR FORMULA: C13H17ClN2S
MOLECULAR WEIGHT: 268.80548
SMILES: CC1=CC(SC(=N1)NC2=CC=CC=C2)(C)C.Cl
Structure:
CAS RN: 2948-77-8
CAS Name: 2-[2-(4-methyl-1-azepanyl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(4-methylazepan-1-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(4-methylazepan-1-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-(4-methylazepan-1-yl)ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C10H24N4O4S
MOLECULAR WEIGHT: 296.38696
SMILES: CC1CCCN(CC1)CCN=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 2948-69-8
CAS Name: 1-methyl-2,4-dinitropyrrole
OPENEYE Name: 1-methyl-2,4-dinitro-pyrrole
IUPAC Name: 1-methyl-2,4-dinitropyrrole
SYSTEMATIC NAME: 1-methyl-2,4-dinitro-pyrrole
MOLECULAR FORMULA: C5H5N3O4
MOLECULAR WEIGHT: 171.1109
SMILES: CN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
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