CAS RN: 78086-72-3
CAS Name: (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
IUPAC Name: methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
SYSTEMATIC NAME: methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: C[C@H]1[C@@H](OC(O1)(C)C)C(=O)OC
Structure:
CAS RN: 97-54-1
CAS Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 5418-04-2
CAS Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 5932-68-3
CAS Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 69352-91-6
CAS Name: 1-methyl-1-cyclopentanecarboxamide
OPENEYE Name: 1-methylcyclopentanecarboxamide
IUPAC Name: 1-methylcyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-methylcyclopentane-1-carboxamide
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC1(CCCC1)C(=O)N
Structure:
CAS RN: 1516-33-2
CAS Name: 2-methylpropylthiourea
OPENEYE Name: isobutylthiourea
IUPAC Name: 2-methylpropylthiourea
SYSTEMATIC NAME: 1-(2-methylpropyl)thiourea
MOLECULAR FORMULA: C5H12N2S
MOLECULAR WEIGHT: 132.22718
SMILES: CC(C)CNC(=S)N
Structure:
CAS RN: 78027-00-6
CAS Name: 4-amino-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C7H7N5S
MOLECULAR WEIGHT: 193.22898
SMILES: C1=CC(=CN=C1)C2=NNC(=S)N2N
Structure:
CAS RN: 93517-76-1
CAS Name: 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
OPENEYE Name: 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
IUPAC Name: 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: CC1=CC(=C(C=C1)C)C2=NNC(=O)C3=CC=CC=C32
Structure:
CAS RN: 17407-55-5
CAS Name: (2S)-2-hydroxy-3-methylbutanoic acid
OPENEYE Name: (2S)-2-hydroxy-3-methyl-butanoic acid
IUPAC Name: (2S)-2-hydroxy-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-3-methyl-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: CC(C)[C@@H](C(=O)O)O
Structure:
CAS RN: 95061-47-5
CAS Name: acetic acid [(1R)-2-hydroxy-1,2,2-triphenylethyl] ester
OPENEYE Name: [(1R)-2-hydroxy-1,2,2-triphenyl-ethyl] acetate
IUPAC Name: [(1R)-2-hydroxy-1,2,2-triphenylethyl] acetate
SYSTEMATIC NAME: [(1R)-2-oxidanyl-1,2,2-triphenyl-ethyl] ethanoate
MOLECULAR FORMULA: C22H20O3
MOLECULAR WEIGHT: 332.3924
SMILES: CC(=O)O[C@H](C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 16727-43-8
CAS Name: 2,6-dimethoxy-3-pyridinecarboxylic acid
OPENEYE Name: 2,6-dimethoxypyridine-3-carboxylic acid
IUPAC Name: 2,6-dimethoxypyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-dimethoxypyridine-3-carboxylic acid
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: COC1=NC(=C(C=C1)C(=O)O)OC
Structure:
CAS RN: 203059-80-7
CAS Name: 1,2-difluoro-4,5-dimethoxybenzene
OPENEYE Name: 1,2-difluoro-4,5-dimethoxy-benzene
IUPAC Name: 1,2-difluoro-4,5-dimethoxybenzene
SYSTEMATIC NAME: 1,2-bis(fluoranyl)-4,5-dimethoxy-benzene
MOLECULAR FORMULA: C8H8F2O2
MOLECULAR WEIGHT: 174.144726
SMILES: COC1=CC(=C(C=C1OC)F)F
Structure:
CAS RN: 59280-70-5
CAS Name: N-(4-chloro-2-fluorophenyl)acetamide
OPENEYE Name: N-(4-chloro-2-fluoro-phenyl)acetamide
IUPAC Name: N-(4-chloro-2-fluorophenyl)acetamide
SYSTEMATIC NAME: N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H7ClFNO
MOLECULAR WEIGHT: 187.598683
SMILES: CC(=O)NC1=C(C=C(C=C1)Cl)F
Structure:
CAS RN: 5060-82-2
CAS Name: 7-methoxy-2-naphthalenol
OPENEYE Name: 7-methoxynaphthalen-2-ol
IUPAC Name: 7-methoxynaphthalen-2-ol
SYSTEMATIC NAME: 7-methoxynaphthalen-2-ol
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: COC1=CC2=C(C=CC(=C2)O)C=C1
Structure:
CAS RN: 52373-72-5
CAS Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC Name: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SYSTEMATIC NAME: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC1(OC[C@@H](O1)C(=O)OC)C
Structure:
CAS RN: 60456-21-5
CAS Name: (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC Name: methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SYSTEMATIC NAME: methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC1(OC[C@H](O1)C(=O)OC)C
Structure:
CAS RN: 16251-45-9
CAS Name: (4S,5R)-4-methyl-5-phenyl-2-oxazolidinone
OPENEYE Name: (4S,5R)-4-methyl-5-phenyl-oxazolidin-2-one
IUPAC Name: (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 98203-44-2
CAS Name: (3S,7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
OPENEYE Name: (3S,7aR)-3-isopropyl-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
IUPAC Name: (3S,7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: (3S,7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC(C)[C@H]1CO[C@]2(N1C(=O)CC2)C
Structure:
CAS RN: 121602-93-5
CAS Name: 3,4,5-trifluorobenzoic acid
OPENEYE Name: 3,4,5-trifluorobenzoic acid
IUPAC Name: 3,4,5-trifluorobenzoic acid
SYSTEMATIC NAME: 3,4,5-tris(fluoranyl)benzoic acid
MOLECULAR FORMULA: C7H3F3O2
MOLECULAR WEIGHT: 176.09273
SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)O
Structure:
CAS RN: 51207-66-0
CAS Name: 1-[[(2S)-2-pyrrolidinyl]methyl]pyrrolidine
OPENEYE Name: 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
IUPAC Name: 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
SYSTEMATIC NAME: 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: C1CCN(C1)C[C@@H]2CCCN2
Structure:
CAS RN: 93103-69-6
CAS Name: 2-biphenylenecarboxylic acid
OPENEYE Name: biphenylene-2-carboxylic acid
IUPAC Name: biphenylene-2-carboxylic acid
SYSTEMATIC NAME: biphenylene-2-carboxylic acid
MOLECULAR FORMULA: C13H8O2
MOLECULAR WEIGHT: 196.20142
SMILES: C1=CC=C2C(=C1)C3=C2C=C(C=C3)C(=O)O
Structure:
CAS RN: 56737-78-1
CAS Name: (2,5-dimethylphenyl)hydrazine
OPENEYE Name: (2,5-dimethylphenyl)hydrazine
IUPAC Name: (2,5-dimethylphenyl)hydrazine
SYSTEMATIC NAME: (2,5-dimethylphenyl)diazane
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC1=CC(=C(C=C1)C)NN
Structure:
CAS RN: 613-85-4
CAS Name: (2,5-dimethylphenyl)hydrazine
OPENEYE Name: (2,5-dimethylphenyl)hydrazine
IUPAC Name: (2,5-dimethylphenyl)hydrazine
SYSTEMATIC NAME: (2,5-dimethylphenyl)diazane
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC1=CC(=C(C=C1)C)NN
Structure:
CAS RN: 6237-87-2
CAS Name: 5-ethoxy-2-methyl-3-benzofurancarboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 5-ethoxy-2-methyl-benzofuran-3-carboxylate
IUPAC Name: propan-2-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC(C)C)C
Structure:
CAS RN: 6238-26-2
CAS Name: 7-ethoxy-4-phenyl-6-propyl-1-benzopyran-2-one
OPENEYE Name: 7-ethoxy-4-phenyl-6-propyl-chromen-2-one
IUPAC Name: 7-ethoxy-4-phenyl-6-propylchromen-2-one
SYSTEMATIC NAME: 7-ethoxy-4-phenyl-6-propyl-chromen-2-one
MOLECULAR FORMULA: C20H20O3
MOLECULAR WEIGHT: 308.371
SMILES: CCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC
Structure:
CAS RN: 33977-11-6
CAS Name: 5-chloro-2-methoxybenzohydrazide
OPENEYE Name: 5-chloro-2-methoxy-benzohydrazide
IUPAC Name: 5-chloro-2-methoxybenzohydrazide
SYSTEMATIC NAME: 5-chloranyl-2-methoxy-benzohydrazide
MOLECULAR FORMULA: C8H9ClN2O2
MOLECULAR WEIGHT: 200.62226
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NN
Structure:
CAS RN: 108086-41-5
CAS Name: N-(3-methoxyphenyl)-2-(4-oxo-3-quinazolinyl)acetamide
OPENEYE Name: N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
IUPAC Name: N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SYSTEMATIC NAME: N-(3-methoxyphenyl)-2-(4-oxidanylidenequinazolin-3-yl)ethanamide
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: COC1=CC=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 108086-47-1
CAS Name: N-(4-chlorophenyl)-2-(4-oxo-3-quinazolinyl)acetamide
OPENEYE Name: N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
IUPAC Name: N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-(4-oxidanylidenequinazolin-3-yl)ethanamide
MOLECULAR FORMULA: C16H12ClN3O2
MOLECULAR WEIGHT: 313.73838
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 135112-27-5
CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid
OPENEYE Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SYSTEMATIC NAME: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 19883-57-9
CAS Name: (2S)-2-amino-2-(4-fluorophenyl)acetic acid
OPENEYE Name: (2S)-2-amino-2-(4-fluorophenyl)acetic acid
IUPAC Name: (2S)-2-amino-2-(4-fluorophenyl)acetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-(4-fluorophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8FNO2
MOLECULAR WEIGHT: 169.153023
SMILES: C1=CC(=CC=C1[C@@H](C(=O)O)N)F
Structure:
CAS RN: 144119-12-0
CAS Name: [(2R)-1-methyl-2-pyrrolidinyl]-diphenylmethanol
OPENEYE Name: [(2R)-1-methylpyrrolidin-2-yl]-diphenyl-methanol
IUPAC Name: [(2R)-1-methylpyrrolidin-2-yl]-diphenylmethanol
SYSTEMATIC NAME: [(2R)-1-methylpyrrolidin-2-yl]-diphenyl-methanol
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: CN1CCC[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 110529-22-1
CAS Name: [(2S)-1-methyl-2-pyrrolidinyl]-diphenylmethanol
OPENEYE Name: [(2S)-1-methylpyrrolidin-2-yl]-diphenyl-methanol
IUPAC Name: [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
SYSTEMATIC NAME: [(2S)-1-methylpyrrolidin-2-yl]-diphenyl-methanol
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: CN1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 137348-86-8
CAS Name: N-[bis[(2-methylpropan-2-yl)oxy]phosphino]-N-propan-2-yl-2-propanamine
OPENEYE Name: N-ditert-butoxyphosphanyl-N-isopropyl-propan-2-amine
IUPAC Name: N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C14H32NO2P
MOLECULAR WEIGHT: 277.383141
SMILES: CC(C)N(C(C)C)P(OC(C)(C)C)OC(C)(C)C
Structure:
CAS RN: 45791-36-4
CAS Name: (1R)-1-(4-bromophenyl)ethanamine
OPENEYE Name: (1R)-1-(4-bromophenyl)ethanamine
IUPAC Name: (1R)-1-(4-bromophenyl)ethanamine
SYSTEMATIC NAME: (1R)-1-(4-bromophenyl)ethanamine
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: C[C@H](C1=CC=C(C=C1)Br)N
Structure:
CAS RN: 27298-97-1
CAS Name: (1S)-1-(4-bromophenyl)ethanamine
OPENEYE Name: (1S)-1-(4-bromophenyl)ethanamine
IUPAC Name: (1S)-1-(4-bromophenyl)ethanamine
SYSTEMATIC NAME: (1S)-1-(4-bromophenyl)ethanamine
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: C[C@@H](C1=CC=C(C=C1)Br)N
Structure:
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