CAS RN: 7495-87-6
CAS Name: 2,2,3-trichloro-3-ethoxybutanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2,3-trichloro-3-ethoxy-butanedioate
IUPAC Name: diethyl 2,2,3-trichloro-3-ethoxybutanedioate
SYSTEMATIC NAME: diethyl 2,2,3-tris(chloranyl)-3-ethoxy-butanedioate
MOLECULAR FORMULA: C10H15Cl3O5
MOLECULAR WEIGHT: 321.5821
SMILES: CCOC(=O)C(C(C(=O)OCC)(Cl)Cl)(OCC)Cl
Structure:
CAS RN: 7495-86-5
CAS Name: 2,2,3-trichloro-3-methoxypropanoic acid methyl ester
OPENEYE Name: methyl 2,2,3-trichloro-3-methoxy-propanoate
IUPAC Name: methyl 2,2,3-trichloro-3-methoxypropanoate
SYSTEMATIC NAME: methyl 2,2,3-tris(chloranyl)-3-methoxy-propanoate
MOLECULAR FORMULA: C5H7Cl3O3
MOLECULAR WEIGHT: 221.46628
SMILES: COC(C(C(=O)OC)(Cl)Cl)Cl
Structure:
CAS RN: 7597-95-7
CAS Name: propanoic acid (2,4-ditert-butyl-6-propan-2-ylphenyl) ester
OPENEYE Name: (2,4-ditert-butyl-6-isopropyl-phenyl) propanoate
IUPAC Name: (2,4-ditert-butyl-6-propan-2-ylphenyl) propanoate
SYSTEMATIC NAME: (2,4-ditert-butyl-6-propan-2-yl-phenyl) propanoate
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)C
Structure:
CAS RN: 7702-50-3
CAS Name: 12-(1-oxopropoxy)octadecanoic acid 2-ethylbutyl ester
OPENEYE Name: 2-ethylbutyl 12-propanoyloxyoctadecanoate
IUPAC Name: 2-ethylbutyl 12-propanoyloxyoctadecanoate
SYSTEMATIC NAME: 2-ethylbutyl 12-propanoyloxyoctadecanoate
MOLECULAR FORMULA: C27H52O4
MOLECULAR WEIGHT: 440.69938
SMILES: CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CC)OC(=O)CC
Structure:
CAS RN: 7495-83-2
CAS Name: [butoxy(phenyl)methyl]benzene
OPENEYE Name: [butoxy(phenyl)methyl]benzene
IUPAC Name: [butoxy(phenyl)methyl]benzene
SYSTEMATIC NAME: [butoxy(phenyl)methyl]benzene
MOLECULAR FORMULA: C17H20O
MOLECULAR WEIGHT: 240.3401
SMILES: CCCCOC(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 7495-80-9
CAS Name: 2-[anilino(oxo)methoxy]propanoic acid butyl ester
OPENEYE Name: butyl 2-(phenylcarbamoyloxy)propanoate
IUPAC Name: butyl 2-(phenylcarbamoyloxy)propanoate
SYSTEMATIC NAME: butyl 2-(phenylcarbamoyloxy)propanoate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CCCCOC(=O)C(C)OC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 45176-17-8
CAS Name: N-decylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-decylcarbamate
IUPAC Name: ethyl N-decylcarbamate
SYSTEMATIC NAME: ethyl N-decylcarbamate
MOLECULAR FORMULA: C13H27NO2
MOLECULAR WEIGHT: 229.35898
SMILES: CCCCCCCCCCNC(=O)OCC
Structure:
CAS RN: 7495-82-1
CAS Name: N-[6-(ethoxycarbonylamino)hexyl]-N-(2-methylpropyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-[6-(ethoxycarbonylamino)hexyl]-N-isobutyl-carbamate
IUPAC Name: ethyl N-[6-(ethoxycarbonylamino)hexyl]-N-(2-methylpropyl)carbamate
SYSTEMATIC NAME: ethyl N-[6-(ethoxycarbonylamino)hexyl]-N-(2-methylpropyl)carbamate
MOLECULAR FORMULA: C16H32N2O4
MOLECULAR WEIGHT: 316.43628
SMILES: CCOC(=O)NCCCCCCN(CC(C)C)C(=O)OCC
Structure:
CAS RN: 2293-61-0
CAS Name: 3-hydroxy-3-phenylpentanoic acid ethyl ester
OPENEYE Name: ethyl 3-hydroxy-3-phenyl-pentanoate
IUPAC Name: ethyl 3-hydroxy-3-phenylpentanoate
SYSTEMATIC NAME: ethyl 3-oxidanyl-3-phenyl-pentanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCC(CC(=O)OCC)(C1=CC=CC=C1)O
Structure:
CAS RN: 614-27-7
CAS Name: 3-oxo-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl 3-oxo-3-phenyl-propanoate
IUPAC Name: methyl 3-oxo-3-phenylpropanoate
SYSTEMATIC NAME: methyl 3-oxidanylidene-3-phenyl-propanoate
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC(=O)CC(=O)C1=CC=CC=C1
Structure:
CAS RN: 7770-41-4
CAS Name: 1-methyl-2-oxo-1-cyclohexanecarboxylic acid prop-2-enyl ester
OPENEYE Name: allyl 1-methyl-2-oxo-cyclohexanecarboxylate
IUPAC Name: prop-2-enyl 1-methyl-2-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: prop-2-enyl 1-methyl-2-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC1(CCCCC1=O)C(=O)OCC=C
Structure:
CAS RN: 21333-69-7
CAS Name: carbonic acid (2-chlorophenyl) propan-2-yl ester
OPENEYE Name: (2-chlorophenyl) isopropyl carbonate
IUPAC Name: (2-chlorophenyl) propan-2-yl carbonate
SYSTEMATIC NAME: (2-chlorophenyl) propan-2-yl carbonate
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: CC(C)OC(=O)OC1=CC=CC=C1Cl
Structure:
CAS RN: 7495-74-1
CAS Name: 1-[9-[2-(diethylamino)-1-hydroxyethyl]-9H-acridin-10-yl]ethanone
OPENEYE Name: 1-[9-[2-(diethylamino)-1-hydroxy-ethyl]-9H-acridin-10-yl]ethanone
IUPAC Name: 1-[9-[2-(diethylamino)-1-hydroxyethyl]-9H-acridin-10-yl]ethanone
SYSTEMATIC NAME: 1-[9-[2-(diethylamino)-1-oxidanyl-ethyl]-9H-acridin-10-yl]ethanone
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: CCN(CC)CC(C1C2=CC=CC=C2N(C3=CC=CC=C13)C(=O)C)O
Structure:
CAS RN: 7495-73-0
CAS Name: 4-amino-2-(ethylamino)-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(ethylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-(ethylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-(ethylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: CCNC(CC(=O)N)C(=O)O
Structure:
CAS RN: 7504-09-8
CAS Name: N-[6-[[oxo(3-piperidinyl)methyl]amino]hexyl]-3-piperidinecarboxamide
OPENEYE Name: N-[6-(piperidine-3-carbonylamino)hexyl]piperidine-3-carboxamide
IUPAC Name: N-[6-(piperidine-3-carbonylamino)hexyl]piperidine-3-carboxamide
SYSTEMATIC NAME: N-[6-(piperidin-3-ylcarbonylamino)hexyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C18H34N4O2
MOLECULAR WEIGHT: 338.48816
SMILES: C1CC(CNC1)C(=O)NCCCCCCNC(=O)C2CCCNC2
Structure:
CAS RN: 7495-71-8
CAS Name: 1-(9,10-dihydroacridin-1-yl)-2-(dipentylamino)ethanol
OPENEYE Name: 1-(9,10-dihydroacridin-1-yl)-2-(dipentylamino)ethanol
IUPAC Name: 1-(9,10-dihydroacridin-1-yl)-2-(dipentylamino)ethanol
SYSTEMATIC NAME: 1-(9,10-dihydroacridin-1-yl)-2-(dipentylamino)ethanol
MOLECULAR FORMULA: C25H36N2O
MOLECULAR WEIGHT: 380.56614
SMILES: CCCCCN(CCCCC)CC(C1=C2CC3=CC=CC=C3NC2=CC=C1)O
Structure:
CAS RN: 7495-70-7
CAS Name: 4-chloro-3-pentylphenol
OPENEYE Name: 4-chloro-3-pentyl-phenol
IUPAC Name: 4-chloro-3-pentylphenol
SYSTEMATIC NAME: 4-chloranyl-3-pentyl-phenol
MOLECULAR FORMULA: C11H15ClO
MOLECULAR WEIGHT: 198.6892
SMILES: CCCCCC1=C(C=CC(=C1)O)Cl
Structure:
CAS RN: 7495-69-4
CAS Name: 2,6-dichloro-4-ethylphenol
OPENEYE Name: 2,6-dichloro-4-ethyl-phenol
IUPAC Name: 2,6-dichloro-4-ethylphenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-ethyl-phenol
MOLECULAR FORMULA: C8H8Cl2O
MOLECULAR WEIGHT: 191.05452
SMILES: CCC1=CC(=C(C(=C1)Cl)O)Cl
Structure:
CAS RN: 7595-45-1
CAS Name: 9-ethyl-7-(1-piperidinylmethyl)-8-purinethione
OPENEYE Name: 9-ethyl-7-(1-piperidylmethyl)purine-8-thione
IUPAC Name: 9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
SYSTEMATIC NAME: 9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
MOLECULAR FORMULA: C13H19N5S
MOLECULAR WEIGHT: 277.38846
SMILES: CCN1C2=NC=NC=C2N(C1=S)CN3CCCCC3
Structure:
CAS RN: 7495-67-2
CAS Name: 7-butyl-3H-purin-6-one
OPENEYE Name: 7-butyl-3H-purin-6-one
IUPAC Name: 7-butyl-3H-purin-6-one
SYSTEMATIC NAME: 7-butyl-3H-purin-6-one
MOLECULAR FORMULA: C9H12N4O
MOLECULAR WEIGHT: 192.21778
SMILES: CCCCN1C=NC2=C1C(=O)N=CN2
Structure:
CAS RN: 7495-65-0
CAS Name: 3-butyl-2H-imidazo[4,5-d]triazin-4-one
OPENEYE Name: 3-butyl-2H-imidazo[4,5-d]triazin-4-one
IUPAC Name: 3-butyl-2H-imidazo[4,5-d]triazin-4-one
SYSTEMATIC NAME: 3-butyl-2H-imidazo[4,5-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: CCCCN1C(=O)C2=NC=NC2=NN1
Structure:
CAS RN: 7495-60-5
CAS Name: N-(3-oxo-1-phenylhexan-2-yl)butanamide
OPENEYE Name: N-(1-benzyl-2-oxo-pentyl)butanamide
IUPAC Name: N-(3-oxo-1-phenylhexan-2-yl)butanamide
SYSTEMATIC NAME: N-(3-oxidanylidene-1-phenyl-hexan-2-yl)butanamide
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCCC(=O)C(CC1=CC=CC=C1)NC(=O)CCC
Structure:
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