CAS RN: 1114-68-7
CAS Name: N,N-bis(3-methylbutyl)propanamide
OPENEYE Name: N,N-diisopentylpropanamide
IUPAC Name: N,N-bis(3-methylbutyl)propanamide
SYSTEMATIC NAME: N,N-bis(3-methylbutyl)propanamide
MOLECULAR FORMULA: C13H27NO
MOLECULAR WEIGHT: 213.35958
SMILES: CCC(=O)N(CCC(C)C)CCC(C)C
Structure:
CAS RN: 15797-21-4
CAS Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
IUPAC Name: dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C
Structure:
CAS RN: 22767-72-2
CAS Name: 3-(4-methoxyphenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-methoxyphenyl)propanoate
IUPAC Name: ethyl 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: ethyl 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CCOC(=O)CCC1=CC=C(C=C1)OC
Structure:
CAS RN: 55320-72-4
CAS Name: 2-(methylamino)benzoic acid propyl ester
OPENEYE Name: propyl 2-(methylamino)benzoate
IUPAC Name: propyl 2-(methylamino)benzoate
SYSTEMATIC NAME: propyl 2-(methylamino)benzoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCCOC(=O)C1=CC=CC=C1NC
Structure:
CAS RN: 35031-72-2
CAS Name: 1-(4-ethoxyphenyl)-1-propanone
OPENEYE Name: 1-(4-ethoxyphenyl)propan-1-one
IUPAC Name: 1-(4-ethoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)propan-1-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCC(=O)C1=CC=C(C=C1)OCC
Structure:
CAS RN: 2065-24-9
CAS Name: 2-phenoxypropanoic acid methyl ester
OPENEYE Name: methyl 2-phenoxypropanoate
IUPAC Name: methyl 2-phenoxypropanoate
SYSTEMATIC NAME: methyl 2-phenoxypropanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CC(C(=O)OC)OC1=CC=CC=C1
Structure:
CAS RN: 4374-57-6
CAS Name: 3,6-diethyl-1,4-dioxane-2,5-dione
OPENEYE Name: 3,6-diethyl-1,4-dioxane-2,5-dione
IUPAC Name: 3,6-diethyl-1,4-dioxane-2,5-dione
SYSTEMATIC NAME: 3,6-diethyl-1,4-dioxane-2,5-dione
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCC1C(=O)OC(C(=O)O1)CC
Structure:
CAS RN: 26593-44-2
CAS Name: 2-[diethylamino(oxo)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-(diethylcarbamoyl)benzoate
IUPAC Name: methyl 2-(diethylcarbamoyl)benzoate
SYSTEMATIC NAME: methyl 2-(diethylcarbamoyl)benzoate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CCN(CC)C(=O)C1=CC=CC=C1C(=O)OC
Structure:
CAS RN: 92867-45-3
CAS Name: 1,1-dibutoxyheptane
OPENEYE Name: 1,1-dibutoxyheptane
IUPAC Name: 1,1-dibutoxyheptane
SYSTEMATIC NAME: 1,1-dibutoxyheptane
MOLECULAR FORMULA: C15H32O2
MOLECULAR WEIGHT: 244.41338
SMILES: CCCCCCC(OCCCC)OCCCC
Structure:
CAS RN: 38091-78-0
CAS Name: 2-cyano-3-methylnonanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-methyl-nonanoate
IUPAC Name: ethyl 2-cyano-3-methylnonanoate
SYSTEMATIC NAME: ethyl 2-cyano-3-methyl-nonanoate
MOLECULAR FORMULA: C13H23NO2
MOLECULAR WEIGHT: 225.32722
SMILES: CCCCCCC(C)C(C#N)C(=O)OCC
Structure:
CAS RN: 50552-30-2
CAS Name: 4-phenyl-5-hexen-2-one
OPENEYE Name: 4-phenylhex-5-en-2-one
IUPAC Name: 4-phenylhex-5-en-2-one
SYSTEMATIC NAME: 4-phenylhex-5-en-2-one
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: CC(=O)CC(C=C)C1=CC=CC=C1
Structure:
CAS RN: 22902-20-1
CAS Name: 2-(1-methylethenyl)-2-prop-2-enylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-allyl-2-isopropenyl-propanedioate
IUPAC Name: diethyl 2-prop-1-en-2-yl-2-prop-2-enylpropanedioate
SYSTEMATIC NAME: diethyl 2-prop-1-en-2-yl-2-prop-2-enyl-propanedioate
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CCOC(=O)C(CC=C)(C(=C)C)C(=O)OCC
Structure:
CAS RN: 90926-79-7
CAS Name: 2-acetyl-4-pentenoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-acetylpent-4-enoate
IUPAC Name: prop-2-enyl 2-acetylpent-4-enoate
SYSTEMATIC NAME: prop-2-enyl 2-ethanoylpent-4-enoate
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: CC(=O)C(CC=C)C(=O)OCC=C
Structure:
CAS RN: 51615-31-7
CAS Name: 2-heptylidenepropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-heptylidenepropanedioate
IUPAC Name: diethyl 2-heptylidenepropanedioate
SYSTEMATIC NAME: diethyl 2-heptylidenepropanedioate
MOLECULAR FORMULA: C14H24O4
MOLECULAR WEIGHT: 256.33796
SMILES: CCCCCCC=C(C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 91976-53-3
CAS Name: 2-hexylidenepropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-hexylidenepropanedioate
IUPAC Name: diethyl 2-hexylidenepropanedioate
SYSTEMATIC NAME: diethyl 2-hexylidenepropanedioate
MOLECULAR FORMULA: C13H22O4
MOLECULAR WEIGHT: 242.31138
SMILES: CCCCCC=C(C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 41589-39-3
CAS Name: 2-butan-2-ylidenepropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(1-methylpropylidene)propanedioate
IUPAC Name: diethyl 2-butan-2-ylidenepropanedioate
SYSTEMATIC NAME: diethyl 2-butan-2-ylidenepropanedioate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CCC(=C(C(=O)OCC)C(=O)OCC)C
Structure:
CAS RN: 5652-68-6
CAS Name: 2-(2-methylpropylidene)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2-methylpropylidene)propanedioate
IUPAC Name: diethyl 2-(2-methylpropylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(2-methylpropylidene)propanedioate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CCOC(=O)C(=CC(C)C)C(=O)OCC
Structure:
CAS RN: 66977-04-6
CAS Name: 2-cyano-2-cyclopentylideneacetic acid methyl ester
OPENEYE Name: methyl 2-cyano-2-cyclopentylidene-acetate
IUPAC Name: methyl 2-cyano-2-cyclopentylideneacetate
SYSTEMATIC NAME: methyl 2-cyano-2-cyclopentylidene-ethanoate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: COC(=O)C(=C1CCCC1)C#N
Structure:
CAS RN: 92289-53-7
CAS Name: 2-(1-aziridinyl)-3-methoxyquinoxaline
OPENEYE Name: 2-(aziridin-1-yl)-3-methoxy-quinoxaline
IUPAC Name: 2-(aziridin-1-yl)-3-methoxyquinoxaline
SYSTEMATIC NAME: 2-(aziridin-1-yl)-3-methoxy-quinoxaline
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: COC1=NC2=CC=CC=C2N=C1N3CC3
Structure:
CAS RN: 2546-14-7
CAS Name: N-[[(4-fluorophenyl)-(1-naphthalenyl)methylidene]amino]-2,4-dinitroaniline
OPENEYE Name: N-[[(4-fluorophenyl)-(1-naphthyl)methylene]amino]-2,4-dinitro-aniline
IUPAC Name: N-[[(4-fluorophenyl)-naphthalen-1-ylmethylidene]amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[[(4-fluorophenyl)-naphthalen-1-yl-methylidene]amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C23H15FN4O4
MOLECULAR WEIGHT: 430.388003
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)F
Structure:
CAS RN: 3109-49-7
CAS Name: 7-fluoro-1-(phenylmethyl)-2-naphthalenecarboxylic acid
OPENEYE Name: 1-benzyl-7-fluoro-naphthalene-2-carboxylic acid
IUPAC Name: 1-benzyl-7-fluoronaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 7-fluoranyl-1-(phenylmethyl)naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C18H13FO2
MOLECULAR WEIGHT: 280.293023
SMILES: C1=CC=C(C=C1)CC2=C(C=CC3=C2C=C(C=C3)F)C(=O)O
Structure:
CAS RN: 3851-52-3
CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-2-naphthalenecarboxylic acid
OPENEYE Name: 1-(4-fluorobenzoyl)naphthalene-2-carboxylic acid
IUPAC Name: 1-(4-fluorobenzoyl)naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 1-(4-fluorophenyl)carbonylnaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C18H11FO3
MOLECULAR WEIGHT: 294.276543
SMILES: C1=CC=C2C(=C1)C=CC(=C2C(=O)C3=CC=C(C=C3)F)C(=O)O
Structure:
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