Product OPENEYE NAME: N-propylpyridin-4-amine
CAS Name: N-propyl-4-pyridinamine
IUPAC NAME: N-propylpyridin-4-amine
SYSTEMATIC NAME: N-propylpyridin-4-amine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CCCNC1=CC=NC=C1
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Product OPENEYE NAME: benzyl 2-(2-amino-2-formyl-cyclopentyl)-4-phenyl-butanoate
CAS Name: 2-(2-amino-2-formylcyclopentyl)-4-phenylbutanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-(2-amino-2-formylcyclopentyl)-4-phenylbutanoate
SYSTEMATIC NAME: (phenylmethyl) 2-(2-azanyl-2-methanoyl-cyclopentyl)-4-phenyl-butanoate
MOLECULAR FORMULA: C23H27NO3
MOLECULAR WEIGHT: 365.46538
SMILES: C1CC(C(C1)(C=O)N)C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(o-tolylmethyl)-3-sulfanyl-propanal
CAS Name: 2-(mercaptomethyl)-3-(2-methylphenyl)propanal
IUPAC NAME: 2-[(2-methylphenyl)methyl]-3-sulfanylpropanal
SYSTEMATIC NAME: 2-[(2-methylphenyl)methyl]-3-sulfanyl-propanal
MOLECULAR FORMULA: C11H14OS
MOLECULAR WEIGHT: 194.29326
SMILES: CC1=CC=CC=C1CC(CS)C=O
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Product OPENEYE NAME: methyl N-[1-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxo-ethyl]-N-(2-phenylethyl)carbamate
CAS Name: N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-oxo-3-phenylpropan-2-yl]-N-(2-phenylethyl)carbamic acid methyl ester
IUPAC NAME: methyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-oxo-3-phenylpropan-2-yl]-N-(2-phenylethyl)carbamate
SYSTEMATIC NAME: methyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(2-phenylethyl)carbamate
MOLECULAR FORMULA: C24H29NO5
MOLECULAR WEIGHT: 411.49076
SMILES: CC1(OCC(O1)C(CC2=CC=CC=C2)(C=O)N(CCC3=CC=CC=C3)C(=O)OC)C
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Product OPENEYE NAME: ethyl 2-(acetylsulfanylmethyl)-4-methylsulfanyl-2-[3-(o-tolyl)propanoylamino]butanoate
CAS Name: 2-[(acetylthio)methyl]-2-[[3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester
IUPAC NAME: ethyl 2-(acetylsulfanylmethyl)-2-[3-(2-methylphenyl)propanoylamino]-4-methylsulfanylbutanoate
SYSTEMATIC NAME: ethyl 2-(ethanoylsulfanylmethyl)-2-[3-(2-methylphenyl)propanoylamino]-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C20H29NO4S2
MOLECULAR WEIGHT: 411.57856
SMILES: CCOC(=O)C(CCSC)(CSC(=O)C)NC(=O)CCC1=CC=CC=C1C
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Product OPENEYE NAME: 2-oxo-4-phenyl-3-(2-phenylethylamino)butanoic acid
CAS Name: 2-oxo-4-phenyl-3-(2-phenylethylamino)butanoic acid
IUPAC NAME: 2-oxo-4-phenyl-3-(2-phenylethylamino)butanoic acid
SYSTEMATIC NAME: 2-oxidanylidene-4-phenyl-3-(2-phenylethylamino)butanoic acid
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: C1=CC=C(C=C1)CCNC(CC2=CC=CC=C2)C(=O)C(=O)O
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Product OPENEYE NAME: 2-amino-2-methoxy-5-(o-tolyl)-4-oxo-3-sulfanyl-hexanoic acid
CAS Name: 2-amino-3-mercapto-2-methoxy-5-(2-methylphenyl)-4-oxohexanoic acid
IUPAC NAME: 2-amino-2-methoxy-5-(2-methylphenyl)-4-oxo-3-sulfanylhexanoic acid
SYSTEMATIC NAME: 2-azanyl-2-methoxy-5-(2-methylphenyl)-4-oxidanylidene-3-sulfanyl-hexanoic acid
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC1=CC=CC=C1C(C)C(=O)C(C(C(=O)O)(N)OC)S
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Product OPENEYE NAME: 3-amino-4-(3-phenylpropanoyl)-2-(sulfanylmethyl)benzoic acid
CAS Name: 3-amino-2-(mercaptomethyl)-4-(1-oxo-3-phenylpropyl)benzoic acid
IUPAC NAME: 3-amino-4-(3-phenylpropanoyl)-2-(sulfanylmethyl)benzoic acid
SYSTEMATIC NAME: 3-azanyl-4-(3-phenylpropanoyl)-2-(sulfanylmethyl)benzoic acid
MOLECULAR FORMULA: C17H17NO3S
MOLECULAR WEIGHT: 315.38678
SMILES: C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)C(=O)O)CS)N
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Product OPENEYE NAME: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methylsulfanyl-4-sulfanyl-butanoic acid; methane
CAS Name: 4-mercapto-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid; methane
IUPAC NAME: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylsulfanyl-4-sulfanylbutanoic acid; methane
SYSTEMATIC NAME: methane; 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-sulfanyl-butanoic acid
MOLECULAR FORMULA: C16H25NO3S3
MOLECULAR WEIGHT: 375.5696
SMILES: C.CSC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)S
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Product OPENEYE NAME: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methylsulfanyl-4-sulfanyl-butanoic acid
CAS Name: 4-mercapto-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid
IUPAC NAME: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylsulfanyl-4-sulfanylbutanoic acid
SYSTEMATIC NAME: 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-sulfanyl-butanoic acid
MOLECULAR FORMULA: C15H21NO3S3
MOLECULAR WEIGHT: 359.52714
SMILES: CSC(CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)S
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Product OPENEYE NAME: 1-amino-2-[1-(oxomethylene)-3-phenyl-propyl]cyclopentanecarbaldehyde
CAS Name: 1-amino-2-(1-oxo-4-phenylbut-1-en-2-yl)-1-cyclopentanecarboxaldehyde
IUPAC NAME: 1-amino-2-(1-oxo-4-phenylbut-1-en-2-yl)cyclopentane-1-carbaldehyde
SYSTEMATIC NAME: 1-azanyl-2-(1-oxidanylidene-4-phenyl-but-1-en-2-yl)cyclopentane-1-carbaldehyde
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: C1CC(C(C1)(C=O)N)C(=C=O)CCC2=CC=CC=C2
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Product OPENEYE NAME: 4-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-1-ene
CAS Name: 4-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-1-ene
IUPAC NAME: 4-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-1-ene
SYSTEMATIC NAME: 4-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-1-ene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C/C=C/C12CCC(=CC1)C2
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Product OPENEYE NAME: 4,8-diamino-2-(2-hexoxyphenyl)-1,5-dihydroxy-anthracene-9,10-dione
CAS Name: 4,8-diamino-2-(2-hexoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
IUPAC NAME: 4,8-diamino-2-(2-hexoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 4,8-bis(azanyl)-2-(2-hexoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C26H26N2O5
MOLECULAR WEIGHT: 446.49504
SMILES: CCCCCCOC1=CC=CC=C1C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N
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Product OPENEYE NAME: 2-propylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
CAS Name: 2-propylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
IUPAC NAME: 2-propylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SYSTEMATIC NAME: 2-propylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
MOLECULAR FORMULA: C19H13NO4
MOLECULAR WEIGHT: 319.31082
SMILES: CCCN1C(=O)C2=C(C1=O)C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 4-(5-formyl-1-methyl-4-pentanoyl-pyrrol-3-yl)oxybenzoic acid
CAS Name: 4-[[5-formyl-1-methyl-4-(1-oxopentyl)-3-pyrrolyl]oxy]benzoic acid
IUPAC NAME: 4-(5-formyl-1-methyl-4-pentanoylpyrrol-3-yl)oxybenzoic acid
SYSTEMATIC NAME: 4-(5-methanoyl-1-methyl-4-pentanoyl-pyrrol-3-yl)oxybenzoic acid
MOLECULAR FORMULA: C18H19NO5
MOLECULAR WEIGHT: 329.34716
SMILES: CCCCC(=O)C1=C(N(C=C1OC2=CC=C(C=C2)C(=O)O)C)C=O
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Product OPENEYE NAME: (E)-3-(4-ethoxy-2-methoxy-phenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
CAS Name: (E)-3-(4-ethoxy-2-methoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(4-ethoxy-2-methoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-ethoxy-2-methoxy-phenyl)-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CCOC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O)OC
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Product OPENEYE NAME: 5-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-4-heptyl-3-methyl-isoxazole
CAS Name: 5-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-4-heptyl-3-methylisoxazole
IUPAC NAME: 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-4-heptyl-3-methyl-1,2-oxazole
SYSTEMATIC NAME: 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-4-heptyl-3-methyl-1,2-oxazole
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: CCCCCCCC1=C(ON=C1C)OC2=CC=C(C=C2)C3=NCCO3
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