Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42O8
MOLECULAR WEIGHT: 494.61758
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O
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Product OPENEYE NAME: 1-[(1S)-1-(hydroxymethyl)-3-(1-naphthyl)propyl]imidazole-4-carboxamide
CAS Name: 1-[(2S)-1-hydroxy-4-(1-naphthalenyl)butan-2-yl]-4-imidazolecarboxamide
IUPAC NAME: 1-[(2S)-1-hydroxy-4-naphthalen-1-ylbutan-2-yl]imidazole-4-carboxamide
SYSTEMATIC NAME: 1-[(2S)-4-naphthalen-1-yl-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C18H19N3O2
MOLECULAR WEIGHT: 309.36236
SMILES: C1=CC=C2C(=C1)C=CC=C2CC[C@@H](CO)N3C=C(N=C3)C(=O)N
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Product OPENEYE NAME: 1-[(1S)-1-(hydroxymethyl)-3-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide
CAS Name: 1-[(2S)-1-hydroxy-4-[6-[[3-(1-methyl-2-benzimidazolyl)-1-oxopropyl]amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide
IUPAC NAME: 1-[(2S)-1-hydroxy-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide
SYSTEMATIC NAME: 1-[(2S)-4-[6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C27H29N7O3
MOLECULAR WEIGHT: 499.56426
SMILES: CN1C2=CC=CC=C2N=C1CCC(=O)NC3=CC4=C(C=C3)C=CN4CC[C@@H](CO)N5C=C(N=C5)C(=O)N
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Product OPENEYE NAME: (1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
CAS Name: (1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(3-quinolinyl)prop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
IUPAC NAME: (1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
SYSTEMATIC NAME: (1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
MOLECULAR FORMULA: C42H59N3O10
MOLECULAR WEIGHT: 765.93196
SMILES: CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
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Product OPENEYE NAME: cyclohexane-1,2-diamine; platinum(2+)
CAS Name: cyclohexane-1,2-diamine; platinum(2+)
IUPAC NAME: cyclohexane-1,2-diamine; platinum(2+)
SYSTEMATIC NAME: cyclohexane-1,2-diamine; platinum(2+)
MOLECULAR FORMULA: C6H14N2Pt+2
MOLECULAR WEIGHT: 309.26676
SMILES: C1CCC(C(C1)N)N.[Pt+2]
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Product OPENEYE NAME: (4R,7S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
CAS Name: (4R,7S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
IUPAC NAME: (4R,7S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
SYSTEMATIC NAME: (4R,7S,8S,9S,13Z,16S)-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione
MOLECULAR FORMULA: C27H41NO5S
MOLECULAR WEIGHT: 491.68314
SMILES: C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@H](C(C(=O)[C@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C
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Product OPENEYE NAME: (1S,3S,7R,10S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CAS Name: (1S,3S,7R,10S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
IUPAC NAME: (1S,3S,7R,10S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
SYSTEMATIC NAME: (1S,3S,7R,10S,11S,12S,16R)-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
MOLECULAR FORMULA: C27H41NO6S
MOLECULAR WEIGHT: 507.68254
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@H](C(C(=O)[C@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H55N11O11S2
MOLECULAR WEIGHT: 990.1153
SMILES: C1C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCC(=O)O)CC4=CNC5=CC=CC=C54)O)NC(=O)CN)C(=O)N)CC6=CNC7=CC=CC=C76
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Product OPENEYE NAME: iron; 3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-15-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-3-ene-2,5,8,11,14,17-hexone
CAS Name: iron; 3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-15-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-3-ene-2,5,8,11,14,17-hexone
IUPAC NAME: iron; 3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-15-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-3-ene-2,5,8,11,14,17-hexone
SYSTEMATIC NAME: iron; 3,6,9-tris[3-[1-hydroxyethyl(oxidanyl)amino]propyl]-15-(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-3-ene-2,5,8,11,14,17-hexone
MOLECULAR FORMULA: C28H51FeN9O13
MOLECULAR WEIGHT: 777.60204
SMILES: CC(N(CCCC1C(=O)NC(C(=O)N=C(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CO)CCCN(C(C)O)O)CCCN(C(C)O)O)O)O.[Fe]
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Product OPENEYE NAME: 15-benzyl-3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadec-12-ene-2,5,8,11,14,17-hexone; iron
CAS Name: iron; 3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadec-12-ene-2,5,8,11,14,17-hexone
IUPAC NAME: 15-benzyl-3,6,9-tris[3-[hydroxy(1-hydroxyethyl)amino]propyl]-1,4,7,10,13,16-hexazacyclooctadec-12-ene-2,5,8,11,14,17-hexone; iron
SYSTEMATIC NAME: iron; 3,6,9-tris[3-[1-hydroxyethyl(oxidanyl)amino]propyl]-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadec-12-ene-2,5,8,11,14,17-hexone
MOLECULAR FORMULA: C34H55FeN9O12
MOLECULAR WEIGHT: 837.6986
SMILES: CC(N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N=CC(=O)N1)CC2=CC=CC=C2)CCCN(C(C)O)O)CCCN(C(C)O)O)O)O.[Fe]
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-12-(1-hydroxy-2-sulfanyl-ethyl)-3,8,13,17-tetramethyl-7-(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-12-(1-hydroxy-2-mercaptoethyl)-7-(1-mercaptoethyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-12-(1-hydroxy-2-sulfanylethyl)-3,8,13,17-tetramethyl-7-(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[18-(3-hydroxy-3-oxopropyl)-3,8,13,17-tetramethyl-12-(1-oxidanyl-2-sulfanyl-ethyl)-7-(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C34H36FeN4O5S2
MOLECULAR WEIGHT: 700.64844
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)S)C)C(CS)O)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
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Product OPENEYE NAME: 2-amino-8-[[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-oxo-1,5a,8,9a-tetrahydropyrano[3,2-g]pteridine-6,7-dithiolate; molybdenum(2+); dihydrate
CAS Name: 2-amino-8-[[[[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-oxo-1,5a,8,9a-tetrahydropyrano[3,2-g]pteridine-6,7-dithiolate; molybdenum(2+); dihydrate
IUPAC NAME: 2-amino-8-[[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-oxo-1,5a,8,9a-tetrahydropyrano[3,2-g]pteridine-6,7-dithiolate; molybdenum(2+); dihydrate
SYSTEMATIC NAME: 2-azanyl-8-[[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanylidene-1,5a,8,9a-tetrahydropyrano[3,2-g]pteridine-6,7-dithiolate; molybdenum(2+); dihydrate
MOLECULAR FORMULA: C19H26MoN8O15P2S2
MOLECULAR WEIGHT: 828.471862
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(=C(C4C(O3)N=C5C(=N4)C(=O)N=C(N5)N)[S-])[S-])O)O.O.O.[Mo+2]
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Product OPENEYE NAME: 2-[(3S,6R,12S,20R,23S)-20-carbamoyl-12-(4-guanidinobutyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
CAS Name: 2-[(3S,6R,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
IUPAC NAME: 2-[(3S,6R,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
SYSTEMATIC NAME: 2-[(3S,6R,12S,20R,23S)-20-aminocarbonyl-12-[4-[bis(azanyl)methylideneamino]butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexakis(oxidanylidene)-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]ethanoic acid
MOLECULAR FORMULA: C35H49N11O9S2
MOLECULAR WEIGHT: 831.96186
SMILES: C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-22,24-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethyl-2-porphyrin-22,24-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethylporphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[7-ethenyl-18-(3-hydroxy-3-oxopropyl)-17-methanoyl-3,8,13-trimethyl-12-[(4E,8E)-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]porphyrin-22,24-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C49H56FeN4O6
MOLECULAR WEIGHT: 852.83714
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)C=O)CCC(=O)O)C(=C3C)CCC(=O)O)C=C.[Fe+2]
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Product OPENEYE NAME: (10-azanidyl-9-phenanthryl)azanide; 2-azanidylpropyl-[2-(2-azanidylpropylazanidyl)ethyl]azanide; rhodium
CAS Name: (10-azanidyl-9-phenanthrenyl)azanide; 2-azanidylpropyl-[2-(2-azanidylpropylazanidyl)ethyl]azanide; rhodium
IUPAC NAME: (10-azanidylphenanthren-9-yl)azanide; 2-azanidylpropyl-[2-(2-azanidylpropylazanidyl)ethyl]azanide; rhodium
SYSTEMATIC NAME: (10-azanidylphenanthren-9-yl)azanide; 2-azanidylpropyl-[2-(2-azanidylpropylazanidyl)ethyl]azanide; rhodium
MOLECULAR FORMULA: C22H28N6Rh-6
MOLECULAR WEIGHT: 479.40342
SMILES: CC(C[N-]CC[N-]CC(C)[NH-])[NH-].C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2[NH-])[NH-].[Rh]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13N5O13P3+
MOLECULAR WEIGHT: 504.157203
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]4[C@]5([O+]4O5)[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME: 2-(6-amino-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; tungsten; trihydrate
CAS Name: 2-(6-amino-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; tungsten; trihydrate
IUPAC NAME: 2-(6-amino-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; tungsten; trihydrate
SYSTEMATIC NAME: 2-(6-azanyl-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; tungsten; trihydrate
MOLECULAR FORMULA: C10H21N5O7W
MOLECULAR WEIGHT: 507.14304
SMILES: C1NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N.O.O.O.[W]
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Product OPENEYE NAME: isopropyl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Name: (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: propan-2-yl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C18H24INO2
MOLECULAR WEIGHT: 409.294258
SMILES: CC(C)OC(=O)[C@@H]1[C@@H]2CC[C@H](N2C)C[C@@H]1C3=CC=C(C=C3)[123I]
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Product OPENEYE NAME: phenyl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Name: (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid phenyl ester
IUPAC NAME: phenyl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: phenyl (1S,3S,4S,5S)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C21H22INO2
MOLECULAR WEIGHT: 443.310478
SMILES: CN1[C@H]2CC[C@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)[123I])C(=O)OC4=CC=CC=C4
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