Wednesday, June 6, 2012

http://ChemLookup.com Compounds




CAS RN: 78987-69-6
CAS Name: 3-chloropropanoic acid 3-phenylpropyl ester
OPENEYE Name: 3-phenylpropyl 3-chloropropanoate
IUPAC Name: 3-phenylpropyl 3-chloropropanoate
SYSTEMATIC NAME: 3-phenylpropyl 3-chloranylpropanoate
MOLECULAR FORMULA: C12H15ClO2
MOLECULAR WEIGHT: 226.6993
SMILES: C1=CC=C(C=C1)CCCOC(=O)CCCl
Structure:

CAS RN: 60045-26-3
CAS Name: benzoic acid 3-phenylpropyl ester
OPENEYE Name: 3-phenylpropyl benzoate
IUPAC Name: 3-phenylpropyl benzoate
SYSTEMATIC NAME: 3-phenylpropyl benzoate
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2
Structure:

CAS RN: 3785-33-9
CAS Name: 2-bromoacetic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 2-bromoacetate
IUPAC Name: 2-phenylethyl 2-bromoacetate
SYSTEMATIC NAME: 2-phenylethyl 2-bromanylethanoate
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: C1=CC=C(C=C1)CCOC(=O)CBr
Structure:

CAS RN: 71334-33-3
CAS Name: 2-chloroacetic acid 2-(2-ethoxyethoxy)ethyl ester
OPENEYE Name: 2-(2-ethoxyethoxy)ethyl 2-chloroacetate
IUPAC Name: 2-(2-ethoxyethoxy)ethyl 2-chloroacetate
SYSTEMATIC NAME: 2-(2-ethoxyethoxy)ethyl 2-chloranylethanoate
MOLECULAR FORMULA: C8H15ClO4
MOLECULAR WEIGHT: 210.6553
SMILES: CCOCCOCCOC(=O)CCl
Structure:

CAS RN: 77205-16-4
CAS Name: 2-chloroacetic acid 2,6-dimethylheptan-4-yl ester
OPENEYE Name: (1-isobutyl-3-methyl-butyl) 2-chloroacetate
IUPAC Name: 2,6-dimethylheptan-4-yl 2-chloroacetate
SYSTEMATIC NAME: 2,6-dimethylheptan-4-yl 2-chloranylethanoate
MOLECULAR FORMULA: C11H21ClO2
MOLECULAR WEIGHT: 220.73624
SMILES: CC(C)CC(CC(C)C)OC(=O)CCl
Structure:

CAS RN: 21118-79-6
CAS Name: N-(2-ethoxyphenyl)butanamide
OPENEYE Name: N-(2-ethoxyphenyl)butanamide
IUPAC Name: N-(2-ethoxyphenyl)butanamide
SYSTEMATIC NAME: N-(2-ethoxyphenyl)butanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCCC(=O)NC1=CC=CC=C1OCC
Structure:

CAS RN: 6365-27-1
CAS Name: N-(2-ethoxyphenyl)butanamide
OPENEYE Name: N-(2-ethoxyphenyl)butanamide
IUPAC Name: N-(2-ethoxyphenyl)butanamide
SYSTEMATIC NAME: N-(2-ethoxyphenyl)butanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCCC(=O)NC1=CC=CC=C1OCC
Structure:

CAS RN: 69833-26-7
CAS Name: N-(3-methylphenyl)butanamide
OPENEYE Name: N-(m-tolyl)butanamide
IUPAC Name: N-(3-methylphenyl)butanamide
SYSTEMATIC NAME: N-(3-methylphenyl)butanamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CCCC(=O)NC1=CC=CC(=C1)C
Structure:

CAS RN: 54191-12-7
CAS Name: N-(4-nitrophenyl)butanamide
OPENEYE Name: N-(4-nitrophenyl)butanamide
IUPAC Name: N-(4-nitrophenyl)butanamide
SYSTEMATIC NAME: N-(4-nitrophenyl)butanamide
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:

CAS RN: 42831-64-1
CAS Name: 2-chloroacetic acid 2-(2-chloro-1-oxoethoxy)propyl ester
OPENEYE Name: 2-(2-chloroacetyl)oxypropyl 2-chloroacetate
IUPAC Name: 2-(2-chloroacetyl)oxypropyl 2-chloroacetate
SYSTEMATIC NAME: 2-(2-chloranylethanoyloxy)propyl 2-chloranylethanoate
MOLECULAR FORMULA: C7H10Cl2O4
MOLECULAR WEIGHT: 229.0579
SMILES: CC(COC(=O)CCl)OC(=O)CCl
Structure:

CAS RN: 7160-18-1
CAS Name: N-(4-chlorophenyl)butanamide
OPENEYE Name: N-(4-chlorophenyl)butanamide
IUPAC Name: N-(4-chlorophenyl)butanamide
SYSTEMATIC NAME: N-(4-chlorophenyl)butanamide
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CCCC(=O)NC1=CC=C(C=C1)Cl
Structure:

CAS RN: 6832-93-5
CAS Name: N-(3-chlorophenyl)butanamide
OPENEYE Name: N-(3-chlorophenyl)butanamide
IUPAC Name: N-(3-chlorophenyl)butanamide
SYSTEMATIC NAME: N-(3-chlorophenyl)butanamide
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CCCC(=O)NC1=CC(=CC=C1)Cl
Structure:

CAS RN: 14211-72-4
CAS Name: 2-butyl-3-methyl-1-cyclopent-2-enone
OPENEYE Name: 2-butyl-3-methyl-cyclopent-2-en-1-one
IUPAC Name: 2-butyl-3-methylcyclopent-2-en-1-one
SYSTEMATIC NAME: 2-butyl-3-methyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CCCCC1=C(CCC1=O)C
Structure:

CAS RN: 3226-41-3
CAS Name: thiocyanic acid (4-bromophenyl) ester
OPENEYE Name: (4-bromophenyl) thiocyanate
IUPAC Name: (4-bromophenyl) thiocyanate
SYSTEMATIC NAME: (4-bromophenyl) thiocyanate
MOLECULAR FORMULA: C7H4BrNS
MOLECULAR WEIGHT: 214.08236
SMILES: C1=CC(=CC=C1SC#N)Br
Structure:

CAS RN: 62124-64-5
CAS Name: N-butan-2-ylbutanamide
OPENEYE Name: N-sec-butylbutanamide
IUPAC Name: N-butan-2-ylbutanamide
SYSTEMATIC NAME: N-butan-2-ylbutanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCC(=O)NC(C)CC
Structure:

CAS RN: 7476-95-1
CAS Name: 2-chloroacetic acid (4-methylcyclohexyl) ester
OPENEYE Name: (4-methylcyclohexyl) 2-chloroacetate
IUPAC Name: (4-methylcyclohexyl) 2-chloroacetate
SYSTEMATIC NAME: (4-methylcyclohexyl) 2-chloranylethanoate
MOLECULAR FORMULA: C9H15ClO2
MOLECULAR WEIGHT: 190.6672
SMILES: CC1CCC(CC1)OC(=O)CCl
Structure:

CAS RN: 7476-94-0
CAS Name: N-(2-methylpropyl)butanamide
OPENEYE Name: N-isobutylbutanamide
IUPAC Name: N-(2-methylpropyl)butanamide
SYSTEMATIC NAME: N-(2-methylpropyl)butanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCC(=O)NCC(C)C
Structure:

CAS RN: 7476-93-9
CAS Name: 2-chloroacetic acid 2-(4-tert-butylphenoxy)ethyl ester
OPENEYE Name: 2-(4-tert-butylphenoxy)ethyl 2-chloroacetate
IUPAC Name: 2-(4-tert-butylphenoxy)ethyl 2-chloroacetate
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)ethyl 2-chloranylethanoate
MOLECULAR FORMULA: C14H19ClO3
MOLECULAR WEIGHT: 270.75186
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCOC(=O)CCl
Structure:

CAS RN: 7476-92-8
CAS Name: 2-chloroacetic acid (2-propan-2-ylcyclohexyl) ester
OPENEYE Name: (2-isopropylcyclohexyl) 2-chloroacetate
IUPAC Name: (2-propan-2-ylcyclohexyl) 2-chloroacetate
SYSTEMATIC NAME: (2-propan-2-ylcyclohexyl) 2-chloranylethanoate
MOLECULAR FORMULA: C11H19ClO2
MOLECULAR WEIGHT: 218.72036
SMILES: CC(C)C1CCCCC1OC(=O)CCl
Structure:

CAS RN: 7495-14-9
CAS Name: butanoic acid (2,4-dichloro-6-phenylphenyl) ester
OPENEYE Name: (2,4-dichloro-6-phenyl-phenyl) butanoate
IUPAC Name: (2,4-dichloro-6-phenylphenyl) butanoate
SYSTEMATIC NAME: [2,4-bis(chloranyl)-6-phenyl-phenyl] butanoate
MOLECULAR FORMULA: C16H14Cl2O2
MOLECULAR WEIGHT: 309.18716
SMILES: CCCC(=O)OC1=C(C=C(C=C1C2=CC=CC=C2)Cl)Cl
Structure:

CAS RN: 7476-88-2
CAS Name: butanoic acid (2-bromo-4-phenylphenyl) ester
OPENEYE Name: (2-bromo-4-phenyl-phenyl) butanoate
IUPAC Name: (2-bromo-4-phenylphenyl) butanoate
SYSTEMATIC NAME: (2-bromanyl-4-phenyl-phenyl) butanoate
MOLECULAR FORMULA: C16H15BrO2
MOLECULAR WEIGHT: 319.1931
SMILES: CCCC(=O)OC1=C(C=C(C=C1)C2=CC=CC=C2)Br
Structure:

CAS RN: 7476-87-1
CAS Name: butanoic acid (4-tert-butyl-2-chlorophenyl) ester
OPENEYE Name: (4-tert-butyl-2-chloro-phenyl) butanoate
IUPAC Name: (4-tert-butyl-2-chlorophenyl) butanoate
SYSTEMATIC NAME: (4-tert-butyl-2-chloranyl-phenyl) butanoate
MOLECULAR FORMULA: C14H19ClO2
MOLECULAR WEIGHT: 254.75246
SMILES: CCCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)Cl
Structure:

CAS RN: 7476-83-7
CAS Name: butanoic acid (2,4,6-tribromophenyl) ester
OPENEYE Name: (2,4,6-tribromophenyl) butanoate
IUPAC Name: (2,4,6-tribromophenyl) butanoate
SYSTEMATIC NAME: [2,4,6-tris(bromanyl)phenyl] butanoate
MOLECULAR FORMULA: C10H9Br3O2
MOLECULAR WEIGHT: 400.88926
SMILES: CCCC(=O)OC1=C(C=C(C=C1Br)Br)Br
Structure:

CAS RN: 7512-81-4
CAS Name: butanoic acid (2,4,6-trichlorophenyl) ester
OPENEYE Name: (2,4,6-trichlorophenyl) butanoate
IUPAC Name: (2,4,6-trichlorophenyl) butanoate
SYSTEMATIC NAME: [2,4,6-tris(chloranyl)phenyl] butanoate
MOLECULAR FORMULA: C10H9Cl3O2
MOLECULAR WEIGHT: 267.53626
SMILES: CCCC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl
Structure:

CAS RN: 7476-80-4
CAS Name: butanoic acid (3-methylphenyl) ester
OPENEYE Name: m-tolyl butanoate
IUPAC Name: (3-methylphenyl) butanoate
SYSTEMATIC NAME: (3-methylphenyl) butanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCC(=O)OC1=CC=CC(=C1)C
Structure:

CAS RN: 7463-55-0
CAS Name: propanoic acid (4-chloro-2-methylphenyl) ester
OPENEYE Name: (4-chloro-2-methyl-phenyl) propanoate
IUPAC Name: (4-chloro-2-methylphenyl) propanoate
SYSTEMATIC NAME: (4-chloranyl-2-methyl-phenyl) propanoate
MOLECULAR FORMULA: C10H11ClO2
MOLECULAR WEIGHT: 198.64614
SMILES: CCC(=O)OC1=C(C=C(C=C1)Cl)C
Structure:

CAS RN: 54519-27-6
CAS Name: acetic acid (2,4-dichloro-6-phenylphenyl) ester
OPENEYE Name: (2,4-dichloro-6-phenyl-phenyl) acetate
IUPAC Name: (2,4-dichloro-6-phenylphenyl) acetate
SYSTEMATIC NAME: [2,4-bis(chloranyl)-6-phenyl-phenyl] ethanoate
MOLECULAR FORMULA: C14H10Cl2O2
MOLECULAR WEIGHT: 281.134
SMILES: CC(=O)OC1=C(C=C(C=C1C2=CC=CC=C2)Cl)Cl
Structure:

CAS RN: 798-43-6
CAS Name: propanoic acid (2,4-dinitro-6-phenylphenyl) ester
OPENEYE Name: (2,4-dinitro-6-phenyl-phenyl) propanoate
IUPAC Name: (2,4-dinitro-6-phenylphenyl) propanoate
SYSTEMATIC NAME: (2,4-dinitro-6-phenyl-phenyl) propanoate
MOLECULAR FORMULA: C15H12N2O6
MOLECULAR WEIGHT: 316.26558
SMILES: CCC(=O)OC1=C(C=C(C=C1C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 55349-69-4
CAS Name: hexanoic acid 2-[2-(1-oxohexoxy)ethyl-(1-oxohexyl)amino]ethyl ester
OPENEYE Name: 2-[hexanoyl(2-hexanoyloxyethyl)amino]ethyl hexanoate
IUPAC Name: 2-[hexanoyl(2-hexanoyloxyethyl)amino]ethyl hexanoate
SYSTEMATIC NAME: 2-[hexanoyl(2-hexanoyloxyethyl)amino]ethyl hexanoate
MOLECULAR FORMULA: C22H41NO5
MOLECULAR WEIGHT: 399.56464
SMILES: CCCCCC(=O)N(CCOC(=O)CCCCC)CCOC(=O)CCCCC
Structure:

CAS RN: 1608-68-0
CAS Name: acetic acid (2-propan-2-ylphenyl) ester
OPENEYE Name: (2-isopropylphenyl) acetate
IUPAC Name: (2-propan-2-ylphenyl) acetate
SYSTEMATIC NAME: (2-propan-2-ylphenyl) ethanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)C1=CC=CC=C1OC(=O)C
Structure:

CAS RN: 7501-14-6
CAS Name: propanoic acid (2-tert-butyl-5-methylphenyl) ester
OPENEYE Name: (2-tert-butyl-5-methyl-phenyl) propanoate
IUPAC Name: (2-tert-butyl-5-methylphenyl) propanoate
SYSTEMATIC NAME: (2-tert-butyl-5-methyl-phenyl) propanoate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CCC(=O)OC1=C(C=CC(=C1)C)C(C)(C)C
Structure:

CAS RN: 54074-17-8
CAS Name: propanoic acid (2-phenylphenyl) ester
OPENEYE Name: (2-phenylphenyl) propanoate
IUPAC Name: (2-phenylphenyl) propanoate
SYSTEMATIC NAME: (2-phenylphenyl) propanoate
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CCC(=O)OC1=CC=CC=C1C2=CC=CC=C2
Structure:

CAS RN: 7463-54-9
CAS Name: propanoic acid (4-methyl-2-nitrophenyl) ester
OPENEYE Name: (4-methyl-2-nitro-phenyl) propanoate
IUPAC Name: (4-methyl-2-nitrophenyl) propanoate
SYSTEMATIC NAME: (4-methyl-2-nitro-phenyl) propanoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CCC(=O)OC1=C(C=C(C=C1)C)[N+](=O)[O-]
Structure:

CAS RN: 7463-52-7
CAS Name: 2-bromo-1,1-diethoxy-3-methylbutane
OPENEYE Name: 2-bromo-1,1-diethoxy-3-methyl-butane
IUPAC Name: 2-bromo-1,1-diethoxy-3-methylbutane
SYSTEMATIC NAME: 2-bromanyl-1,1-diethoxy-3-methyl-butane
MOLECULAR FORMULA: C9H19BrO2
MOLECULAR WEIGHT: 239.14996
SMILES: CCOC(C(C(C)C)Br)OCC
Structure:

CAS RN: 22184-24-3
CAS Name: acetic acid (2-chlorophenyl)methyl ester
OPENEYE Name: (2-chlorophenyl)methyl acetate
IUPAC Name: (2-chlorophenyl)methyl acetate
SYSTEMATIC NAME: (2-chlorophenyl)methyl ethanoate
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CC(=O)OCC1=CC=CC=C1Cl
Structure:

CAS RN: 7463-47-0
CAS Name: acetic acid [4-[2-[acetyl(methyl)amino]ethyl]-5-acetyloxy-6-methoxy-1-phenanthrenyl] ester
OPENEYE Name: [5-acetoxy-4-[2-[acetyl(methyl)amino]ethyl]-6-methoxy-1-phenanthryl] acetate
IUPAC Name: [4-[2-[acetyl(methyl)amino]ethyl]-5-acetyloxy-6-methoxyphenanthren-1-yl] acetate
SYSTEMATIC NAME: [5-acetyloxy-4-[2-[ethanoyl(methyl)amino]ethyl]-6-methoxy-phenanthren-1-yl] ethanoate
MOLECULAR FORMULA: C24H25NO6
MOLECULAR WEIGHT: 423.4584
SMILES: CC(=O)N(C)CCC1=C2C(=C(C=C1)OC(=O)C)C=CC3=C2C(=C(C=C3)OC)OC(=O)C
Structure:

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