CAS RN: 33226-56-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: C1COCCN1C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCOCC8
Structure:
CAS RN: 1595-28-4
CAS Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-4-carboxaldehyde
OPENEYE Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-4-carbaldehyde
IUPAC Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
SYSTEMATIC NAME: (3S,3aS,6aS,9S,10R,10aR)-7,7-dimethyl-3,9,10-tris(oxidanyl)-1-oxidanylidene-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
MOLECULAR FORMULA: C15H20O6
MOLECULAR WEIGHT: 296.3157
SMILES: CC1(C[C@@H]([C@@H]([C@@]23[C@H]1CC=C([C@@H]2[C@H](OC3=O)O)C=O)O)O)C
Structure:
CAS RN: 158761-02-5
CAS Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-4-carboxaldehyde
OPENEYE Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d]isobenzofuran-4-carbaldehyde
IUPAC Name: (3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
SYSTEMATIC NAME: (3S,3aS,6aS,9S,10R,10aR)-7,7-dimethyl-3,9,10-tris(oxidanyl)-1-oxidanylidene-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
MOLECULAR FORMULA: C15H20O6
MOLECULAR WEIGHT: 296.3157
SMILES: CC1(C[C@@H]([C@@H]([C@@]23[C@H]1CC=C([C@@H]2[C@H](OC3=O)O)C=O)O)O)C
Structure:
CAS RN: 61444-45-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H28O27
MOLECULAR WEIGHT: 952.64482
SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Structure:
CAS RN: 177578-83-5
CAS Name: 6-ethyl-6-phenyl-7-pyrrolo[2,1-d][1,5]benzoxazepinone
OPENEYE Name: 6-ethyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one
IUPAC Name: 6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
SYSTEMATIC NAME: 6-ethyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one
MOLECULAR FORMULA: C20H17NO2
MOLECULAR WEIGHT: 303.35448
SMILES: CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4
Structure:
CAS RN: 4742-69-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N4O2S
MOLECULAR WEIGHT: 394.48998
SMILES: CCN(CC)CCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3
Structure:
CAS RN: 155666-65-2
CAS Name: 2-(7-amino-3-isothiazolo[4,5-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(7-aminoisothiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(7-amino-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(7-azanyl-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1=NC2=C(C(=N1)N)SN=C2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 39736-29-3
CAS Name: 4-amino-2-(methylthio)-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-amino-2-methylsulfanyl-thiazole-5-carboxylate
IUPAC Name: ethyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-2-methylsulfanyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C7H10N2O2S2
MOLECULAR WEIGHT: 218.2965
SMILES: CCOC(=O)C1=C(N=C(S1)SC)N
Structure:
CAS RN: 216865-63-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25N7O3
MOLECULAR WEIGHT: 411.4576
SMILES: CCN(CC)CCCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C
Structure:
CAS RN: 25648-89-9
CAS Name: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-oxolanone
OPENEYE Name: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 62584-11-6
CAS Name: 12-hydroxy-6-oxo-12-indolo[2,1-b]quinazolinecarboxylic acid methyl ester
OPENEYE Name: methyl 12-hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylate
IUPAC Name: methyl 12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12-carboxylate
SYSTEMATIC NAME: methyl 12-oxidanyl-6-oxidanylidene-indolo[2,1-b]quinazoline-12-carboxylate
MOLECULAR FORMULA: C17H12N2O4
MOLECULAR WEIGHT: 308.28818
SMILES: COC(=O)C1(C2=CC=CC=C2N=C3N1C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 163661-45-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@@H]([C@H]([C@@H](O4)C)C)O
Structure:
CAS RN: 177578-88-0
CAS Name: 6-phenyl-6-prop-2-enyl-7-pyrrolo[2,1-d][1,5]benzoxazepinone
OPENEYE Name: 6-allyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one
IUPAC Name: 6-phenyl-6-prop-2-enylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
SYSTEMATIC NAME: 6-phenyl-6-prop-2-enyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one
MOLECULAR FORMULA: C21H17NO2
MOLECULAR WEIGHT: 315.36518
SMILES: C=CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4
Structure:
CAS RN: 78235-09-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H48N2O
MOLECULAR WEIGHT: 428.69352
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)O)N(C)C
Structure:
CAS RN: 7727-91-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H48N2O
MOLECULAR WEIGHT: 428.69352
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)O)N(C)C
Structure:
CAS RN: 170031-78-4
CAS Name: 2-(2-benzoyl-1-benzimidazolyl)-1-(4-chlorophenyl)ethanone
OPENEYE Name: 2-(2-benzoylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
IUPAC Name: 2-(2-benzoylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-[2-(phenylcarbonyl)benzimidazol-1-yl]ethanone
MOLECULAR FORMULA: C22H15ClN2O2
MOLECULAR WEIGHT: 374.8197
SMILES: C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 909078-67-7
CAS Name: acetic acid [4-[phenoxy(phenyl)methoxy]phenyl] ester
OPENEYE Name: [4-[phenoxy(phenyl)methoxy]phenyl] acetate
IUPAC Name: [4-[phenoxy(phenyl)methoxy]phenyl] acetate
SYSTEMATIC NAME: [4-[phenoxy(phenyl)methoxy]phenyl] ethanoate
MOLECULAR FORMULA: C21H18O4
MOLECULAR WEIGHT: 334.36522
SMILES: CC(=O)OC1=CC=C(C=C1)OC(C2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 907552-31-2
CAS Name: 2-(2,2-dimethyl-3-phenylpropyl)benzene-1,4-diol
OPENEYE Name: 2-(2,2-dimethyl-3-phenyl-propyl)benzene-1,4-diol
IUPAC Name: 2-(2,2-dimethyl-3-phenylpropyl)benzene-1,4-diol
SYSTEMATIC NAME: 2-(2,2-dimethyl-3-phenyl-propyl)benzene-1,4-diol
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CC(C)(CC1=CC=CC=C1)CC2=C(C=CC(=C2)O)O
Structure:
CAS RN: 39868-20-7
CAS Name: 2-(2,2-dimethylpropyl)benzene-1,4-diol
OPENEYE Name: 2-(2,2-dimethylpropyl)benzene-1,4-diol
IUPAC Name: 2-(2,2-dimethylpropyl)benzene-1,4-diol
SYSTEMATIC NAME: 2-(2,2-dimethylpropyl)benzene-1,4-diol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)(C)CC1=C(C=CC(=C1)O)O
Structure:
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