Product OPENEYE NAME: 2-(3-isopropyl-4-methoxy-phenyl)propanoic acid
CAS Name: 2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
IUPAC NAME: 2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
SYSTEMATIC NAME: 2-(4-methoxy-3-propan-2-yl-phenyl)propanoic acid
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)C1=C(C=CC(=C1)C(C)C(=O)O)OC
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Product OPENEYE NAME: N-allyl-N-butyl-acetamide; bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol
CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienol; N-butyl-N-prop-2-enylacetamide
IUPAC NAME: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; N-butyl-N-prop-2-enylacetamide
SYSTEMATIC NAME: bicyclo[2.2.0]hexa-1(4),2,5-trien-3-ol; N-butyl-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCCCN(CC=C)C(=O)C.C1=CC2=C1C=C2O
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Product OPENEYE NAME: 2-(4-allyloxyphenyl)-N-butyl-acetamide
CAS Name: N-butyl-2-(4-prop-2-enoxyphenyl)acetamide
IUPAC NAME: N-butyl-2-(4-prop-2-enoxyphenyl)acetamide
SYSTEMATIC NAME: N-butyl-2-(4-prop-2-enoxyphenyl)ethanamide
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCCCNC(=O)CC1=CC=C(C=C1)OCC=C
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Product OPENEYE NAME: 4-[3-[4-(diethylcarbamoyl)-2-isopropyl-3-methyl-phenoxy]-2-hydroxy-propyl]piperazine-1-carboxamide
CAS Name: 4-[3-[4-[diethylamino(oxo)methyl]-3-methyl-2-propan-2-ylphenoxy]-2-hydroxypropyl]-1-piperazinecarboxamide
IUPAC NAME: 4-[3-[4-(diethylcarbamoyl)-3-methyl-2-propan-2-ylphenoxy]-2-hydroxypropyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[3-[4-(diethylcarbamoyl)-3-methyl-2-propan-2-yl-phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C23H38N4O4
MOLECULAR WEIGHT: 434.57222
SMILES: CCN(CC)C(=O)C1=C(C(=C(C=C1)OCC(CN2CCN(CC2)C(=O)N)O)C(C)C)C
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Product OPENEYE NAME: 2-(1H-inden-4-yloxymethyl)oxirane
CAS Name: 2-(1H-inden-4-yloxymethyl)oxirane
IUPAC NAME: 2-(1H-inden-4-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(1H-inden-4-yloxymethyl)oxirane
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C1C=CC2=C1C=CC=C2OCC3CO3
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Product OPENEYE NAME: methyl N-[2-(4-hydroxy-3-methyl-phenyl)ethyl]carbamate
CAS Name: N-[2-(4-hydroxy-3-methylphenyl)ethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-(4-hydroxy-3-methylphenyl)ethyl]carbamate
SYSTEMATIC NAME: methyl N-[2-(3-methyl-4-oxidanyl-phenyl)ethyl]carbamate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC1=C(C=CC(=C1)CCNC(=O)OC)O
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Product OPENEYE NAME: ethyl N-[2-[2-allyl-3-[3-(4-carbamoylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]ethyl]carbamate
CAS Name: N-[2-[3-[3-(4-carbamoyl-1-piperazinyl)-2-hydroxypropoxy]-2-prop-2-enylphenyl]ethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[3-[3-(4-carbamoylpiperazin-1-yl)-2-hydroxypropoxy]-2-prop-2-enylphenyl]ethyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[3-[3-(4-aminocarbonylpiperazin-1-yl)-2-oxidanyl-propoxy]-2-prop-2-enyl-phenyl]ethyl]carbamate
MOLECULAR FORMULA: C22H34N4O5
MOLECULAR WEIGHT: 434.52916
SMILES: CCOC(=O)NCCC1=C(C(=CC=C1)OCC(CN2CCN(CC2)C(=O)N)O)CC=C
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Product OPENEYE NAME: N,N-diethyl-2-(3-isopropyl-4-methoxy-phenyl)acetamide
CAS Name: N,N-diethyl-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
IUPAC NAME: N,N-diethyl-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: N,N-diethyl-2-(4-methoxy-3-propan-2-yl-phenyl)ethanamide
MOLECULAR FORMULA: C16H25NO2
MOLECULAR WEIGHT: 263.3752
SMILES: CCN(CC)C(=O)CC1=CC(=C(C=C1)OC)C(C)C
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Product OPENEYE NAME: 2-[(4-ethyl-2-methyl-phenoxy)methyl]oxirane; methyl carbamate
CAS Name: carbamic acid methyl ester; 2-[(4-ethyl-2-methylphenoxy)methyl]oxirane
IUPAC NAME: 2-[(4-ethyl-2-methylphenoxy)methyl]oxirane; methyl carbamate
SYSTEMATIC NAME: 2-[(4-ethyl-2-methyl-phenoxy)methyl]oxirane; methyl carbamate
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: CCC1=CC(=C(C=C1)OCC2CO2)C.COC(=O)N
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Product OPENEYE NAME: 2-[(4-ethyl-2-methyl-phenoxy)methyl]oxirane
CAS Name: 2-[(4-ethyl-2-methylphenoxy)methyl]oxirane
IUPAC NAME: 2-[(4-ethyl-2-methylphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[(4-ethyl-2-methyl-phenoxy)methyl]oxirane
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CCC1=CC(=C(C=C1)OCC2CO2)C
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Product OPENEYE NAME: ammonia; 4-ethyl-2-isopropyl-1-methoxy-benzene
CAS Name: ammonia; 4-ethyl-1-methoxy-2-propan-2-ylbenzene
IUPAC NAME: azane; 4-ethyl-1-methoxy-2-propan-2-ylbenzene
SYSTEMATIC NAME: azane; 4-ethyl-1-methoxy-2-propan-2-yl-benzene
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CCC1=CC(=C(C=C1)OC)C(C)C.N
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Product OPENEYE NAME: 4-ethyl-2-isopropyl-1-methoxy-benzene
CAS Name: 4-ethyl-1-methoxy-2-propan-2-ylbenzene
IUPAC NAME: 4-ethyl-1-methoxy-2-propan-2-ylbenzene
SYSTEMATIC NAME: 4-ethyl-1-methoxy-2-propan-2-yl-benzene
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCC1=CC(=C(C=C1)OC)C(C)C
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Product OPENEYE NAME: indan-1-one; 2-(oxiran-2-ylmethoxymethyl)oxirane
CAS Name: 2,3-dihydroinden-1-one; 2-(2-oxiranylmethoxymethyl)oxirane
IUPAC NAME: 2,3-dihydroinden-1-one; 2-(oxiran-2-ylmethoxymethyl)oxirane
SYSTEMATIC NAME: 2,3-dihydroinden-1-one; 2-(oxiran-2-ylmethoxymethyl)oxirane
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: C1CC(=O)C2=CC=CC=C21.C1C(O1)COCC2CO2
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Product OPENEYE NAME: 2-(3-acetyl-4-hydroxy-phenyl)acetamide
CAS Name: 2-(3-acetyl-4-hydroxyphenyl)acetamide
IUPAC NAME: 2-(3-acetyl-4-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2-(3-ethanoyl-4-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(=O)C1=C(C=CC(=C1)CC(=O)N)O
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Product OPENEYE NAME: methyl (NZ)-N-[amino-(2-chloro-4-propylsulfanyl-anilino)methylene]carbamate
CAS Name: (NZ)-N-[amino-[2-chloro-4-(propylthio)anilino]methylidene]carbamic acid methyl ester
IUPAC NAME: methyl (NZ)-N-[amino-(2-chloro-4-propylsulfanylanilino)methylidene]carbamate
SYSTEMATIC NAME: methyl (NZ)-N-[azanyl-[(2-chloranyl-4-propylsulfanyl-phenyl)amino]methylidene]carbamate
MOLECULAR FORMULA: C12H16ClN3O2S
MOLECULAR WEIGHT: 301.79234
SMILES: CCCSC1=CC(=C(C=C1)N/C(=N\C(=O)OC)/N)Cl
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Product OPENEYE NAME: methyl N-[N'-[2-(diethylamino)ethyl]carbamimidoyl]-N-(2-nitro-5-propylsulfanyl-phenyl)carbamate
CAS Name: N-[amino-[2-(diethylamino)ethylimino]methyl]-N-[2-nitro-5-(propylthio)phenyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[N'-[2-(diethylamino)ethyl]carbamimidoyl]-N-(2-nitro-5-propylsulfanylphenyl)carbamate
SYSTEMATIC NAME: methyl N-[N'-[2-(diethylamino)ethyl]carbamimidoyl]-N-(2-nitro-5-propylsulfanyl-phenyl)carbamate
MOLECULAR FORMULA: C18H29N5O4S
MOLECULAR WEIGHT: 411.51896
SMILES: CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCCN(CC)CC)N)C(=O)OC
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Product OPENEYE NAME: methyl (NZ)-N-[amino-(2-nitro-5-propylsulfanyl-anilino)methylene]carbamate
CAS Name: (NZ)-N-[amino-[2-nitro-5-(propylthio)anilino]methylidene]carbamic acid methyl ester
IUPAC NAME: methyl (NZ)-N-[amino-(2-nitro-5-propylsulfanylanilino)methylidene]carbamate
SYSTEMATIC NAME: methyl (NZ)-N-[azanyl-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]carbamate
MOLECULAR FORMULA: C12H16N4O4S
MOLECULAR WEIGHT: 312.34484
SMILES: CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N/C(=N\C(=O)OC)/N
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Product OPENEYE NAME: ethyl 2-[[amino-(N-methoxycarbonyl-2-nitro-5-propylsulfanyl-anilino)methylene]amino]acetate
CAS Name: 2-[[amino-[N-methoxycarbonyl-2-nitro-5-(propylthio)anilino]methylidene]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[amino-(N-methoxycarbonyl-2-nitro-5-propylsulfanylanilino)methylidene]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[azanyl-[methoxycarbonyl-(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanoate
MOLECULAR FORMULA: C16H22N4O6S
MOLECULAR WEIGHT: 398.43408
SMILES: CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCC(=O)OCC)N)C(=O)OC
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Product OPENEYE NAME: 2-(5-propyl-2-thienyl)guanidine
CAS Name: 2-(5-propyl-2-thiophenyl)guanidine
IUPAC NAME: 2-(5-propylthiophen-2-yl)guanidine
SYSTEMATIC NAME: 2-(5-propylthiophen-2-yl)guanidine
MOLECULAR FORMULA: C8H13N3S
MOLECULAR WEIGHT: 183.27392
SMILES: CCCC1=CC=C(S1)N=C(N)N
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Product OPENEYE NAME: methyl N-(2-nitro-5-propylsulfanyl-phenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate
CAS Name: N-[amino-[2-(1-piperazinyl)ethylimino]methyl]-N-[2-nitro-5-(propylthio)phenyl]carbamic acid methyl ester
IUPAC NAME: methyl N-(2-nitro-5-propylsulfanylphenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate
SYSTEMATIC NAME: methyl N-(2-nitro-5-propylsulfanyl-phenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate
MOLECULAR FORMULA: C18H28N6O4S
MOLECULAR WEIGHT: 424.51772
SMILES: CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCCN2CCNCC2)N)C(=O)OC
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Product OPENEYE NAME: methyl N-(2-nitro-4-propylsulfanyl-phenyl)-N-[N'-(2-pyridylmethyl)carbamimidoyl]carbamate
CAS Name: N-[amino(2-pyridinylmethylimino)methyl]-N-[2-nitro-4-(propylthio)phenyl]carbamic acid methyl ester
IUPAC NAME: methyl N-(2-nitro-4-propylsulfanylphenyl)-N-[N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamate
SYSTEMATIC NAME: methyl N-(2-nitro-4-propylsulfanyl-phenyl)-N-[N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamate
MOLECULAR FORMULA: C18H21N5O4S
MOLECULAR WEIGHT: 403.45544
SMILES: CCCSC1=CC(=C(C=C1)N(C(=NCC2=CC=CC=N2)N)C(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[4-[4-[7-(2,4-dichlorophenyl)-7-hydroxy-8-imidazol-1-yl-octoxy]phenyl]piperazin-1-yl]propane-1,2-diol
CAS Name: 3-[4-[4-[7-(2,4-dichlorophenyl)-7-hydroxy-8-(1-imidazolyl)octoxy]phenyl]-1-piperazinyl]propane-1,2-diol
IUPAC NAME: 3-[4-[4-[7-(2,4-dichlorophenyl)-7-hydroxy-8-imidazol-1-yloctoxy]phenyl]piperazin-1-yl]propane-1,2-diol
SYSTEMATIC NAME: 3-[4-[4-[7-(2,4-dichlorophenyl)-8-imidazol-1-yl-7-oxidanyl-octoxy]phenyl]piperazin-1-yl]propane-1,2-diol
MOLECULAR FORMULA: C30H40Cl2N4O4
MOLECULAR WEIGHT: 591.569
SMILES: C1CN(CCN1CC(CO)O)C2=CC=C(C=C2)OCCCCCCC(CN3C=CN=C3)(C4=C(C=C(C=C4)Cl)Cl)O
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Product OPENEYE NAME: 2-(2,4-dichlorophenyl)-8-[4-(4-ethylpiperazin-1-yl)phenoxy]-1-imidazol-1-yl-octan-2-ol; N-methylmethanamine
CAS Name: 2-(2,4-dichlorophenyl)-8-[4-(4-ethyl-1-piperazinyl)phenoxy]-1-(1-imidazolyl)-2-octanol; N-methylmethanamine
IUPAC NAME: 2-(2,4-dichlorophenyl)-8-[4-(4-ethylpiperazin-1-yl)phenoxy]-1-imidazol-1-yloctan-2-ol; N-methylmethanamine
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-8-[4-(4-ethylpiperazin-1-yl)phenoxy]-1-imidazol-1-yl-octan-2-ol; N-methylmethanamine
MOLECULAR FORMULA: C31H45Cl2N5O2
MOLECULAR WEIGHT: 590.6273
SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)OCCCCCCC(CN3C=CN=C3)(C4=C(C=C(C=C4)Cl)Cl)O.CNC
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