CAS RN: 50366-58-0
CAS Name: 1-phenyl-3-propylsulfonyl-1-propanone
OPENEYE Name: 1-phenyl-3-propylsulfonyl-propan-1-one
IUPAC Name: 1-phenyl-3-propylsulfonylpropan-1-one
SYSTEMATIC NAME: 1-phenyl-3-propylsulfonyl-propan-1-one
MOLECULAR FORMULA: C12H16O3S
MOLECULAR WEIGHT: 240.31864
SMILES: CCCS(=O)(=O)CCC(=O)C1=CC=CC=C1
Structure:
CAS RN: 52481-46-6
CAS Name: 3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
OPENEYE Name: 1-phenyl-3-(p-tolylsulfonyl)propan-1-one
IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(4-methylphenyl)sulfonyl-1-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O3S
MOLECULAR WEIGHT: 288.36144
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CC=CC=C2
Structure:
CAS RN: 65373-90-2
CAS Name: 3-oxo-3-thiophen-2-yl-1-propanesulfinic acid
OPENEYE Name: 3-oxo-3-(2-thienyl)propane-1-sulfinic acid
IUPAC Name: 3-oxo-3-thiophen-2-ylpropane-1-sulfinic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-thiophen-2-yl-propane-1-sulfinic acid
MOLECULAR FORMULA: C7H8O3S2
MOLECULAR WEIGHT: 204.26662
SMILES: C1=CSC(=C1)C(=O)CCS(=O)O
Structure:
CAS RN: 65373-85-5
CAS Name: 3-(4-methoxyphenyl)-3-oxo-1-propanesulfinic acid
OPENEYE Name: 3-(4-methoxyphenyl)-3-oxo-propane-1-sulfinic acid
IUPAC Name: 3-(4-methoxyphenyl)-3-oxopropane-1-sulfinic acid
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-3-oxidanylidene-propane-1-sulfinic acid
MOLECULAR FORMULA: C10H12O4S
MOLECULAR WEIGHT: 228.26488
SMILES: COC1=CC=C(C=C1)C(=O)CCS(=O)O
Structure:
CAS RN: 65373-84-4
CAS Name: 3-oxo-3-phenyl-1-propanesulfinic acid
OPENEYE Name: 3-oxo-3-phenyl-propane-1-sulfinic acid
IUPAC Name: 3-oxo-3-phenylpropane-1-sulfinic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-phenyl-propane-1-sulfinic acid
MOLECULAR FORMULA: C9H10O3S
MOLECULAR WEIGHT: 198.2389
SMILES: C1=CC=C(C=C1)C(=O)CCS(=O)O
Structure:
CAS RN: 37006-36-3
CAS Name: 3-chloro-2-hydroxy-2-methylpropanoic acid [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methyl-propanoate
IUPAC Name: [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloro-2-hydroxy-2-methylpropanoate
SYSTEMATIC NAME: [9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 3-chloranyl-2-methyl-2-oxidanyl-propanoate
MOLECULAR FORMULA: C19H24Cl2O7
MOLECULAR WEIGHT: 435.29566
SMILES: CC(CCl)(C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O)O
Structure:
CAS RN: 5491-06-5
CAS Name: 2-(2-methyl-3-oxobutyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2-methyl-3-oxo-butyl)propanedioate
IUPAC Name: diethyl 2-(2-methyl-3-oxobutyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2-methyl-3-oxidanylidene-butyl)propanedioate
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CCOC(=O)C(CC(C)C(=O)C)C(=O)OCC
Structure:
CAS RN: 18111-20-1
CAS Name: 2-acetamido-3-(3,4,5-trimethoxyphenyl)propanoic acid
OPENEYE Name: 2-acetamido-3-(3,4,5-trimethoxyphenyl)propanoic acid
IUPAC Name: 2-acetamido-3-(3,4,5-trimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-(3,4,5-trimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C14H19NO6
MOLECULAR WEIGHT: 297.30376
SMILES: CC(=O)NC(CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)O
Structure:
CAS RN: 33821-97-5
CAS Name: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
OPENEYE Name: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
IUPAC Name: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
SYSTEMATIC NAME: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: C1CC2(CCC(=O)NC2=NC1)C3=CC=CC=C3
Structure:
CAS RN: 25860-54-2
CAS Name: 6-methyl-4a-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-dione
OPENEYE Name: 6-methyl-4a-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-dione
IUPAC Name: 6-methyl-4a-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-4a-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CC1CC2(C(=O)NC(=O)N=C2O1)C3=CC=CC=C3
Structure:
CAS RN: 35359-14-9
CAS Name: 1-(2-hydroxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-(2-hydroxyethyl)-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-(2-hydroxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1=CC=C(C=C1)C2C(=O)NC(=O)N(C2=O)CCO
Structure:
CAS RN: 35359-11-6
CAS Name: 5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-allyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C=CCN1C(=O)C(C(=O)NC1=O)C2=CC=CC=C2
Structure:
CAS RN: 3795-32-2
CAS Name: 4-(phenylmethyl)-2-(trifluoromethyl)-4H-oxazol-5-one
OPENEYE Name: 4-benzyl-2-(trifluoromethyl)-4H-oxazol-5-one
IUPAC Name: 4-benzyl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-(phenylmethyl)-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
MOLECULAR FORMULA: C11H8F3NO2
MOLECULAR WEIGHT: 243.18193
SMILES: C1=CC=C(C=C1)CC2C(=O)OC(=N2)C(F)(F)F
Structure:
CAS RN: 58559-09-4
CAS Name: 3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-hydroxyphenyl)-2-(p-tolylsulfonylamino)propanoate
IUPAC Name: ethyl 3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: ethyl 3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C18H21NO5S
MOLECULAR WEIGHT: 363.42804
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 60427-92-1
CAS Name: 4-methoxy-6-(4-phenylbuta-1,3-dienyl)-2-pyranone
OPENEYE Name: 4-methoxy-6-(4-phenylbuta-1,3-dienyl)pyran-2-one
IUPAC Name: 4-methoxy-6-(4-phenylbuta-1,3-dienyl)pyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-(4-phenylbuta-1,3-dienyl)pyran-2-one
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: COC1=CC(=O)OC(=C1)C=CC=CC2=CC=CC=C2
Structure:
CAS RN: 60427-78-3
CAS Name: 6-[2-[4-(dimethylamino)phenyl]ethenyl]-4-methoxy-2-pyranone
OPENEYE Name: 6-[2-[4-(dimethylamino)phenyl]vinyl]-4-methoxy-pyran-2-one
IUPAC Name: 6-[2-[4-(dimethylamino)phenyl]ethenyl]-4-methoxypyran-2-one
SYSTEMATIC NAME: 6-[2-[4-(dimethylamino)phenyl]ethenyl]-4-methoxy-pyran-2-one
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
Structure:
CAS RN: 60427-79-4
CAS Name: 4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]-2-pyranone
OPENEYE Name: 4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)vinyl]pyran-2-one
IUPAC Name: 4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]pyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]pyran-2-one
MOLECULAR FORMULA: C17H18O6
MOLECULAR WEIGHT: 318.32122
SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 60427-80-7
CAS Name: 4-methoxy-6-(2-thiophen-2-ylethenyl)-2-pyranone
OPENEYE Name: 4-methoxy-6-[2-(2-thienyl)vinyl]pyran-2-one
IUPAC Name: 4-methoxy-6-(2-thiophen-2-ylethenyl)pyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-(2-thiophen-2-ylethenyl)pyran-2-one
MOLECULAR FORMULA: C12H10O3S
MOLECULAR WEIGHT: 234.271
SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC=CS2
Structure:
CAS RN: 60427-94-3
CAS Name: 4-methoxy-6-[2-(2-pyridinyl)ethenyl]-2-pyranone
OPENEYE Name: 4-methoxy-6-[2-(2-pyridyl)vinyl]pyran-2-one
IUPAC Name: 4-methoxy-6-(2-pyridin-2-ylethenyl)pyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-(2-pyridin-2-ylethenyl)pyran-2-one
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: COC1=CC(=O)OC(=C1)C=CC2=CC=CC=N2
Structure:
CAS RN: 876-23-3
CAS Name: ethanethioic acid S-(1-piperidinylmethyl) ester
OPENEYE Name: S-(1-piperidylmethyl) ethanethioate
IUPAC Name: S-(piperidin-1-ylmethyl) ethanethioate
SYSTEMATIC NAME: S-(piperidin-1-ylmethyl) ethanethioate
MOLECULAR FORMULA: C8H15NOS
MOLECULAR WEIGHT: 173.2758
SMILES: CC(=O)SCN1CCCCC1
Structure:
CAS RN: 4139-69-9
CAS Name: 3-[(2-oxo-1-benzopyran-3-yl)methyl]-1-benzopyran-2-one
OPENEYE Name: 3-[(2-oxochromen-3-yl)methyl]chromen-2-one
IUPAC Name: 3-[(2-oxochromen-3-yl)methyl]chromen-2-one
SYSTEMATIC NAME: 3-[(2-oxidanylidenechromen-3-yl)methyl]chromen-2-one
MOLECULAR FORMULA: C19H12O4
MOLECULAR WEIGHT: 304.29618
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)CC3=CC4=CC=CC=C4OC3=O
Structure:
CAS RN: 19225-63-9
CAS Name: 3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
OPENEYE Name: 3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
IUPAC Name: 3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SYSTEMATIC NAME: 3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CC1C2=C(CC(CC2=O)(C)C)OC3=C1C(=O)CC(C3)(C)C
Structure:
CAS RN: 30345-94-9
CAS Name: 3-phenyl-2-propenoic acid [(1-oxo-3-phenylprop-2-enyl)amino] ester
OPENEYE Name: (3-phenylprop-2-enoylamino) 3-phenylprop-2-enoate
IUPAC Name: (3-phenylprop-2-enoylamino) 3-phenylprop-2-enoate
SYSTEMATIC NAME: (3-phenylprop-2-enoylamino) 3-phenylprop-2-enoate
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: C1=CC=C(C=C1)C=CC(=O)NOC(=O)C=CC2=CC=CC=C2
Structure:
CAS RN: 91167-08-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H14Cl2O4
MOLECULAR WEIGHT: 317.16456
SMILES: COC(=O)C1=C(C2C=CC1C3C2C(C3Cl)Cl)C(=O)OC
Structure:
CAS RN: 839-39-4
CAS Name: cyclopropane-1,1,2-tricarboxylic acid triethyl ester
OPENEYE Name: triethyl cyclopropane-1,1,2-tricarboxylate
IUPAC Name: triethyl cyclopropane-1,1,2-tricarboxylate
SYSTEMATIC NAME: triethyl cyclopropane-1,1,2-tricarboxylate
MOLECULAR FORMULA: C12H18O6
MOLECULAR WEIGHT: 258.26772
SMILES: CCOC(=O)C1CC1(C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 30345-99-4
CAS Name: 2-(bromomethyl)-8-phenyl-2,3-dihydrooxazolo[3,2-c]pyrimidine-5,7-dione
OPENEYE Name: 2-(bromomethyl)-8-phenyl-2,3-dihydrooxazolo[3,2-c]pyrimidine-5,7-dione
IUPAC Name: 2-(bromomethyl)-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
SYSTEMATIC NAME: 2-(bromomethyl)-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
MOLECULAR FORMULA: C13H11BrN2O3
MOLECULAR WEIGHT: 323.14204
SMILES: C1C(OC2=C(C(=O)NC(=O)N21)C3=CC=CC=C3)CBr
Structure:
CAS RN: 30345-98-3
CAS Name: 2-methyl-8-phenyl-2,3-dihydrooxazolo[3,2-c]pyrimidine-5,7-dione
OPENEYE Name: 2-methyl-8-phenyl-2,3-dihydrooxazolo[3,2-c]pyrimidine-5,7-dione
IUPAC Name: 2-methyl-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
SYSTEMATIC NAME: 2-methyl-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CC1CN2C(=C(C(=O)NC2=O)C3=CC=CC=C3)O1
Structure:
CAS RN: 33837-12-6
CAS Name: 3,4,5-trimethoxybenzoic acid 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl ester
OPENEYE Name: [1-methyl-2-(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] 3,4,5-trimethoxybenzoate
IUPAC Name: 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C23H24N2O8
MOLECULAR WEIGHT: 456.44526
SMILES: CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 23853-43-2
CAS Name: benzenecarbothioic acid S-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl] ester
OPENEYE Name: S-[(2-hydroxy-4-oxo-chromen-3-yl)methyl] benzenecarbothioate
IUPAC Name: S-[(2-hydroxy-4-oxochromen-3-yl)methyl] benzenecarbothioate
SYSTEMATIC NAME: S-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl] benzenecarbothioate
MOLECULAR FORMULA: C17H12O4S
MOLECULAR WEIGHT: 312.33978
SMILES: C1=CC=C(C=C1)C(=O)SCC2=C(OC3=CC=CC=C3C2=O)O
Structure:
CAS RN: 60427-98-7
CAS Name: 2,6-dioxo-4-(2-phenylethyl)heptane-1,3,5,7-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 2,6-dioxo-4-(2-phenylethyl)heptane-1,3,5,7-tetracarboxylate
IUPAC Name: tetramethyl 2,6-dioxo-4-(2-phenylethyl)heptane-1,3,5,7-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 2,6-bis(oxidanylidene)-4-(2-phenylethyl)heptane-1,3,5,7-tetracarboxylate
MOLECULAR FORMULA: C23H28O10
MOLECULAR WEIGHT: 464.46242
SMILES: COC(=O)CC(=O)C(C(CCC1=CC=CC=C1)C(C(=O)CC(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 74312-48-4
CAS Name: 2-(propan-2-ylideneamino)oxy-1-cyclohexanol
OPENEYE Name: 2-(isopropylideneamino)oxycyclohexanol
IUPAC Name: 2-(propan-2-ylideneamino)oxycyclohexan-1-ol
SYSTEMATIC NAME: 2-(propan-2-ylideneamino)oxycyclohexan-1-ol
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CC(=NOC1CCCCC1O)C
Structure:
CAS RN: 13181-10-7
CAS Name: N-(2,4-dinitrophenoxy)-2-propanimine
OPENEYE Name: N-(2,4-dinitrophenoxy)propan-2-imine
IUPAC Name: N-(2,4-dinitrophenoxy)propan-2-imine
SYSTEMATIC NAME: N-(2,4-dinitrophenoxy)propan-2-imine
MOLECULAR FORMULA: C9H9N3O5
MOLECULAR WEIGHT: 239.18486
SMILES: CC(=NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 63892-79-5
CAS Name: 4-(phenylmethyl)-2,5-bis(trifluoromethyl)oxazole
OPENEYE Name: 4-benzyl-2,5-bis(trifluoromethyl)oxazole
IUPAC Name: 4-benzyl-2,5-bis(trifluoromethyl)-1,3-oxazole
SYSTEMATIC NAME: 4-(phenylmethyl)-2,5-bis(trifluoromethyl)-1,3-oxazole
MOLECULAR FORMULA: C12H7F6NO
MOLECULAR WEIGHT: 295.180499
SMILES: C1=CC=C(C=C1)CC2=C(OC(=N2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 27566-63-8
CAS Name: acetic acid [5-[2-[cyano(methyl)amino]ethyl]-10-methoxy-11-naphtho[2,1-g][1,3]benzodioxolyl] ester
OPENEYE Name: [5-[2-[cyano(methyl)amino]ethyl]-10-methoxy-naphtho[2,1-g][1,3]benzodioxol-11-yl] acetate
IUPAC Name: [5-[2-[cyano(methyl)amino]ethyl]-10-methoxynaphtho[2,1-g][1,3]benzodioxol-11-yl] acetate
SYSTEMATIC NAME: [5-[2-[cyano(methyl)amino]ethyl]-10-methoxy-naphtho[2,1-g][1,3]benzodioxol-11-yl] ethanoate
MOLECULAR FORMULA: C22H20N2O5
MOLECULAR WEIGHT: 392.4046
SMILES: CC(=O)OC1=C(C=CC2=C1C3=C(C=C2)C(=CC4=C3OCO4)CCN(C)C#N)OC
Structure:
CAS RN: 1114-55-2
CAS Name: 2-acetamido-4-methylpentanoic acid ethyl ester
OPENEYE Name: ethyl 2-acetamido-4-methyl-pentanoate
IUPAC Name: ethyl 2-acetamido-4-methylpentanoate
SYSTEMATIC NAME: ethyl 2-acetamido-4-methyl-pentanoate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CCOC(=O)C(CC(C)C)NC(=O)C
Structure:
CAS RN: 13680-05-2
CAS Name: N-(2-nitrophenoxy)-2-propanimine
OPENEYE Name: N-(2-nitrophenoxy)propan-2-imine
IUPAC Name: N-(2-nitrophenoxy)propan-2-imine
SYSTEMATIC NAME: N-(2-nitrophenoxy)propan-2-imine
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CC(=NOC1=CC=CC=C1[N+](=O)[O-])C
Structure:
CAS RN: 41949-98-8
CAS Name: 1-bromo-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-bromocyclohexanecarboxylate
IUPAC Name: ethyl 1-bromocyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-bromanylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C9H15BrO2
MOLECULAR WEIGHT: 235.1182
SMILES: CCOC(=O)C1(CCCCC1)Br
Structure:
CAS RN: 57177-83-0
CAS Name: 2-amino-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester
OPENEYE Name: methyl 2-amino-3-(4-benzyloxyphenyl)propanoate
IUPAC Name: methyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
SYSTEMATIC NAME: methyl 2-azanyl-3-(4-phenylmethoxyphenyl)propanoate
MOLECULAR FORMULA: C17H19NO3
MOLECULAR WEIGHT: 285.33766
SMILES: COC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N
Structure:
CAS RN: 6792-55-8
CAS Name: 4-bicyclo[3.2.1]oct-2-enol
OPENEYE Name: bicyclo[3.2.1]oct-2-en-4-ol
IUPAC Name: bicyclo[3.2.1]oct-2-en-4-ol
SYSTEMATIC NAME: bicyclo[3.2.1]oct-2-en-4-ol
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: C1CC2CC1C=CC2O
Structure:
CAS RN: 92793-31-2
CAS Name: 2-[(3-ethoxy-3-oxopropyl)-methylamino]-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(3-ethoxy-3-oxo-propyl)-methyl-amino]cyclohexanecarboxylate
IUPAC Name: ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]cyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[(3-ethoxy-3-oxidanylidene-propyl)-methyl-amino]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C15H27NO4
MOLECULAR WEIGHT: 285.37918
SMILES: CCOC(=O)CCN(C)C1CCCCC1C(=O)OCC
Structure:
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