Product OPENEYE NAME: (E)-3-(3-hydroxyphenyl)-2-methyl-prop-2-enal
CAS Name: (E)-3-(3-hydroxyphenyl)-2-methyl-2-propenal
IUPAC NAME: (E)-3-(3-hydroxyphenyl)-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-3-(3-hydroxyphenyl)-2-methyl-prop-2-enal
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C/C(=C\C1=CC(=CC=C1)O)/C=O
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Product OPENEYE NAME: 1-hexyl-4-[11-(4-isopropylphenyl)undecyl]benzene
CAS Name: 1-hexyl-4-[11-(4-propan-2-ylphenyl)undecyl]benzene
IUPAC NAME: 1-hexyl-4-[11-(4-propan-2-ylphenyl)undecyl]benzene
SYSTEMATIC NAME: 1-hexyl-4-[11-(4-propan-2-ylphenyl)undecyl]benzene
MOLECULAR FORMULA: C32H50
MOLECULAR WEIGHT: 434.7394
SMILES: CCCCCCC1=CC=C(C=C1)CCCCCCCCCCCC2=CC=C(C=C2)C(C)C
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Product OPENEYE NAME: methyl 3-(4-benzyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)-2-[[(2Z)-2-hydroxyimino-4-methyl-pentanoyl]amino]propanoate
CAS Name: 2-[[(2Z)-2-hydroxyimino-4-methyl-1-oxopentyl]amino]-3-[4-hydroxy-4-(phenylmethyl)-1-cyclohexa-2,5-dienyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-(4-benzyl-4-hydroxycyclohexa-2,5-dien-1-yl)-2-[[(2Z)-2-hydroxyimino-4-methylpentanoyl]amino]propanoate
SYSTEMATIC NAME: methyl 2-[[(2Z)-2-hydroxyimino-4-methyl-pentanoyl]amino]-3-[4-oxidanyl-4-(phenylmethyl)cyclohexa-2,5-dien-1-yl]propanoate
MOLECULAR FORMULA: C23H30N2O5
MOLECULAR WEIGHT: 414.4947
SMILES: CC(C)C/C(=N/O)/C(=O)NC(CC1C=CC(C=C1)(CC2=CC=CC=C2)O)C(=O)OC
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Product OPENEYE NAME: 1-[6-(1-ethylpropoxy)-1-phenyl-hexyl]-2-(5-phenylpentoxy)benzene
CAS Name: 1-(6-pentan-3-yloxy-1-phenylhexyl)-2-(5-phenylpentoxy)benzene
IUPAC NAME: 1-(6-pentan-3-yloxy-1-phenylhexyl)-2-(5-phenylpentoxy)benzene
SYSTEMATIC NAME: 1-(6-pentan-3-yloxy-1-phenyl-hexyl)-2-(5-phenylpentoxy)benzene
MOLECULAR FORMULA: C34H46O2
MOLECULAR WEIGHT: 486.72784
SMILES: CCC(CC)OCCCCCC(C1=CC=CC=C1)C2=CC=CC=C2OCCCCCC3=CC=CC=C3
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Product OPENEYE NAME: 3-isobutyl-5-methoxy-N-methyl-4-oxido-2-oxo-N-(3-pyridyl)pyrazin-4-ium-1-carboxamide
CAS Name: 5-methoxy-N-methyl-3-(2-methylpropyl)-4-oxido-2-oxo-N-(3-pyridinyl)-1-pyrazin-4-iumcarboxamide
IUPAC NAME: 5-methoxy-N-methyl-3-(2-methylpropyl)-4-oxido-2-oxo-N-pyridin-3-ylpyrazin-4-ium-1-carboxamide
SYSTEMATIC NAME: 5-methoxy-N-methyl-3-(2-methylpropyl)-4-oxidanidyl-2-oxidanylidene-N-pyridin-3-yl-pyrazin-4-ium-1-carboxamide
MOLECULAR FORMULA: C16H20N4O4
MOLECULAR WEIGHT: 332.3544
SMILES: CC(C)CC1=[N+](C(=CN(C1=O)C(=O)N(C)C2=CN=CC=C2)OC)[O-]
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Product OPENEYE NAME: 4-(3-quinoxalin-5-ylpropyl)cinnoline
CAS Name: 4-[3-(5-quinoxalinyl)propyl]cinnoline
IUPAC NAME: 4-(3-quinoxalin-5-ylpropyl)cinnoline
SYSTEMATIC NAME: 4-(3-quinoxalin-5-ylpropyl)cinnoline
MOLECULAR FORMULA: C19H16N4
MOLECULAR WEIGHT: 300.35714
SMILES: C1=CC=C2C(=C1)C(=CN=N2)CCCC3=C4C(=CC=C3)N=CC=N4
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Product OPENEYE NAME: 1-(2-chloro-4-nitro-phenyl)hexan-1-ol
CAS Name: 1-(2-chloro-4-nitrophenyl)-1-hexanol
IUPAC NAME: 1-(2-chloro-4-nitrophenyl)hexan-1-ol
SYSTEMATIC NAME: 1-(2-chloranyl-4-nitro-phenyl)hexan-1-ol
MOLECULAR FORMULA: C12H16ClNO3
MOLECULAR WEIGHT: 257.71334
SMILES: CCCCCC(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)O
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Product OPENEYE NAME: 5-isobutyl-3-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
CAS Name: 3-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
IUPAC NAME: 3-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 3-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C19H25N3O6
MOLECULAR WEIGHT: 391.4183
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)C(=O)NCCOC2=CC=C(C=C2)OC)OC)[O-]
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Product OPENEYE NAME: 5-isobutyl-3-methoxy-N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
CAS Name: 3-methoxy-N-methyl-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
IUPAC NAME: 3-methoxy-N-methyl-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 3-methoxy-N-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C11H17N3O4
MOLECULAR WEIGHT: 255.27038
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)C(=O)NC)OC)[O-]
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Product OPENEYE NAME: 6,7,8-trimethoxy-1,4,4a,8a-tetrahydroquinoline
CAS Name: 6,7,8-trimethoxy-1,4,4a,8a-tetrahydroquinoline
IUPAC NAME: 6,7,8-trimethoxy-1,4,4a,8a-tetrahydroquinoline
SYSTEMATIC NAME: 6,7,8-trimethoxy-1,4,4a,8a-tetrahydroquinoline
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: COC1=CC2CC=CNC2C(=C1OC)OC
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Product OPENEYE NAME: 2-hexyl-1,4-dihydroquinoline
CAS Name: 2-hexyl-1,4-dihydroquinoline
IUPAC NAME: 2-hexyl-1,4-dihydroquinoline
SYSTEMATIC NAME: 2-hexyl-1,4-dihydroquinoline
MOLECULAR FORMULA: C15H21N
MOLECULAR WEIGHT: 215.33394
SMILES: CCCCCCC1=CCC2=CC=CC=C2N1
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Product OPENEYE NAME: methyl 3-ethylindoline-1-carboxylate
CAS Name: 3-ethyl-2,3-dihydroindole-1-carboxylic acid methyl ester
IUPAC NAME: methyl 3-ethyl-2,3-dihydroindole-1-carboxylate
SYSTEMATIC NAME: methyl 3-ethyl-2,3-dihydroindole-1-carboxylate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CCC1CN(C2=CC=CC=C12)C(=O)OC
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Product OPENEYE NAME: 1,2,3,3,6-pentamethylcyclohexa-1,4-diene
CAS Name: 1,2,3,3,6-pentamethylcyclohexa-1,4-diene
IUPAC NAME: 1,2,3,3,6-pentamethylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1,2,3,3,6-pentamethylcyclohexa-1,4-diene
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CC1C=CC(C(=C1C)C)(C)C
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Product OPENEYE NAME: ethyl 3-ethylindole-1-carboxylate
CAS Name: 3-ethyl-1-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-ethylindole-1-carboxylate
SYSTEMATIC NAME: ethyl 3-ethylindole-1-carboxylate
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCC1=CN(C2=CC=CC=C21)C(=O)OCC
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)ethanol
CAS Name: 1-(3,5-dichlorophenyl)ethanol
IUPAC NAME: 1-(3,5-dichlorophenyl)ethanol
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]ethanol
MOLECULAR FORMULA: C8H8Cl2O
MOLECULAR WEIGHT: 191.05452
SMILES: CC(C1=CC(=CC(=C1)Cl)Cl)O
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Product OPENEYE NAME: 6-benzyl-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one
CAS Name: 5-methoxy-3-(2-methylpropyl)-4-oxido-6-(phenylmethyl)-1H-pyrazin-4-ium-2-one
IUPAC NAME: 6-benzyl-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one
SYSTEMATIC NAME: 5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-6-(phenylmethyl)-1H-pyrazin-4-ium-2-one
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)CC2=CC=CC=C2)OC)[O-]
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Product OPENEYE NAME: 1-(2,4,6-trinitrophenyl)pentan-1-ol
CAS Name: 1-(2,4,6-trinitrophenyl)-1-pentanol
IUPAC NAME: 1-(2,4,6-trinitrophenyl)pentan-1-ol
SYSTEMATIC NAME: 1-(2,4,6-trinitrophenyl)pentan-1-ol
MOLECULAR FORMULA: C11H13N3O7
MOLECULAR WEIGHT: 299.23682
SMILES: CCCCC(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O
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Product OPENEYE NAME: 1-(2-furylmethyl)-5-isobutyl-3-methoxy-4-oxido-6-oxo-pyrazin-4-ium-2-carboxamide
CAS Name: 1-(2-furanylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumcarboxamide
IUPAC NAME: 1-(furan-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C15H19N3O5
MOLECULAR WEIGHT: 321.32846
SMILES: CC(C)CC1=[N+](C(=C(N(C1=O)CC2=CC=CO2)C(=O)N)OC)[O-]
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Product OPENEYE NAME: (2E)-2-benzyloxyimino-4-methyl-N-[3-oxo-5-(3,4,5-trimethoxyphenyl)pentyl]pentanamide
CAS Name: (2E)-4-methyl-N-[3-oxo-5-(3,4,5-trimethoxyphenyl)pentyl]-2-phenylmethoxyiminopentanamide
IUPAC NAME: (2E)-4-methyl-N-[3-oxo-5-(3,4,5-trimethoxyphenyl)pentyl]-2-phenylmethoxyiminopentanamide
SYSTEMATIC NAME: (2E)-4-methyl-N-[3-oxidanylidene-5-(3,4,5-trimethoxyphenyl)pentyl]-2-phenylmethoxyimino-pentanamide
MOLECULAR FORMULA: C27H36N2O6
MOLECULAR WEIGHT: 484.58454
SMILES: CC(C)C/C(=N\OCC1=CC=CC=C1)/C(=O)NCCC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC
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Product OPENEYE NAME: 1-piperidyl 4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate
CAS Name: 4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylic acid 1-piperidinyl ester
IUPAC NAME: piperidin-1-yl 4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxylate
SYSTEMATIC NAME: piperidin-1-yl 4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxylate
MOLECULAR FORMULA: C10H13N3O4
MOLECULAR WEIGHT: 239.22792
SMILES: C1CCN(CC1)OC(=O)C2=C[N+](=CC(=O)N2)[O-]
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Product OPENEYE NAME: 1-(2,3-diaminophenyl)butan-1-ol
CAS Name: 1-(2,3-diaminophenyl)-1-butanol
IUPAC NAME: 1-(2,3-diaminophenyl)butan-1-ol
SYSTEMATIC NAME: 1-[2,3-bis(azanyl)phenyl]butan-1-ol
MOLECULAR FORMULA: C10H16N2O
MOLECULAR WEIGHT: 180.24684
SMILES: CCCC(C1=C(C(=CC=C1)N)N)O
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Product OPENEYE NAME: 1-[2-ethyl-1,3-dimethyl-2-[3-(3-phenylpropoxy)phenyl]butyl]-4-(4-phenylbutoxy)benzene
CAS Name: 1-[3-ethyl-2-methyl-4-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3-(3-phenylpropoxy)benzene
IUPAC NAME: 1-[3-ethyl-2-methyl-4-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3-(3-phenylpropoxy)benzene
SYSTEMATIC NAME: 1-[3-ethyl-2-methyl-4-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3-(3-phenylpropoxy)benzene
MOLECULAR FORMULA: C39H48O2
MOLECULAR WEIGHT: 548.79722
SMILES: CCC(C1=CC(=CC=C1)OCCCC2=CC=CC=C2)(C(C)C)C(C)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4
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Product OPENEYE NAME: N-cyclopropyl-5-isobutyl-3-methoxy-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
CAS Name: N-cyclopropyl-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
IUPAC NAME: N-cyclopropyl-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: N-cyclopropyl-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-1H-pyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C13H19N3O4
MOLECULAR WEIGHT: 281.30766
SMILES: CC(C)CC1=[N+](C(=C(NC1=O)C(=O)NC2CC2)OC)[O-]
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Product OPENEYE NAME: 5-methoxy-4-methyl-2-oxo-3-phenyl-1,3-dihydropyrazine-6-carboxylic acid
CAS Name: 5-methoxy-4-methyl-2-oxo-3-phenyl-1,3-dihydropyrazine-6-carboxylic acid
IUPAC NAME: 5-methoxy-4-methyl-2-oxo-3-phenyl-1,3-dihydropyrazine-6-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-4-methyl-2-oxidanylidene-3-phenyl-1,3-dihydropyrazine-6-carboxylic acid
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: CN1C(C(=O)NC(=C1OC)C(=O)O)C2=CC=CC=C2
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