CAS RN: 3894-09-5
CAS Name: (2R)-2-cyclohexyl-2-phenylacetate
OPENEYE Name: (2R)-2-cyclohexyl-2-phenyl-acetate
IUPAC Name: (2R)-2-cyclohexyl-2-phenylacetate
SYSTEMATIC NAME: (2R)-2-cyclohexyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C14H17O2-
MOLECULAR WEIGHT: 217.28358
SMILES: C1CCC(CC1)[C@H](C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 46118-95-0
CAS Name: 2-[(4-methyl-2-pyrimidinyl)thio]acetate
OPENEYE Name: 2-(4-methylpyrimidin-2-yl)sulfanylacetate
IUPAC Name: 2-(4-methylpyrimidin-2-yl)sulfanylacetate
SYSTEMATIC NAME: 2-(4-methylpyrimidin-2-yl)sulfanylethanoate
MOLECULAR FORMULA: C7H7N2O2S-
MOLECULAR WEIGHT: 183.20768
SMILES: CC1=NC(=NC=C1)SCC(=O)[O-]
Structure:
CAS RN: 23853-10-3
CAS Name: 2-(1-piperidin-1-iumyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-piperidin-1-ium-1-ylacetate
IUPAC Name: ethyl 2-piperidin-1-ium-1-ylacetate
SYSTEMATIC NAME: ethyl 2-piperidin-1-ium-1-ylethanoate
MOLECULAR FORMULA: C9H18NO2+
MOLECULAR WEIGHT: 172.24472
SMILES: CCOC(=O)C[NH+]1CCCCC1
Structure:
CAS RN: 51304-61-1
CAS Name: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-1-ium
OPENEYE Name: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-1-ium
IUPAC Name: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-1-ium
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-1-ium
MOLECULAR FORMULA: C11H13ClN+
MOLECULAR WEIGHT: 194.68062
SMILES: C1C[NH2+]CC=C1C2=CC=C(C=C2)Cl
Structure:
CAS RN: 4890-85-1
CAS Name: 2-(2-phenylethyl)benzoate
OPENEYE Name: 2-(2-phenylethyl)benzoate
IUPAC Name: 2-(2-phenylethyl)benzoate
SYSTEMATIC NAME: 2-(2-phenylethyl)benzoate
MOLECULAR FORMULA: C15H13O2-
MOLECULAR WEIGHT: 225.26252
SMILES: C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)[O-]
Structure:
CAS RN: 29841-69-8
CAS Name: (1S,2S)-1,2-diphenylethane-1,2-diamine
OPENEYE Name: (1S,2S)-1,2-diphenylethane-1,2-diamine
IUPAC Name: (1S,2S)-1,2-diphenylethane-1,2-diamine
SYSTEMATIC NAME: (1S,2S)-1,2-diphenylethane-1,2-diamine
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N
Structure:
CAS RN: 28166-41-8
CAS Name: (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoate
OPENEYE Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C10H6NO3-
MOLECULAR WEIGHT: 188.15954
SMILES: C1=CC(=CC=C1/C=C(\C#N)/C(=O)[O-])O
Structure:
CAS RN: 54673-07-3
CAS Name: (E)-2-cyano-3-(3-hydroxyphenyl)-2-propenoate
OPENEYE Name: (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
IUPAC Name: (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C10H6NO3-
MOLECULAR WEIGHT: 188.15954
SMILES: C1=CC(=CC(=C1)O)/C=C(\C#N)/C(=O)[O-]
Structure:
CAS RN: 57988-58-6
CAS Name: 4-(4-bromophenyl)-4-piperidin-1-iumol
OPENEYE Name: 4-(4-bromophenyl)piperidin-1-ium-4-ol
IUPAC Name: 4-(4-bromophenyl)piperidin-1-ium-4-ol
SYSTEMATIC NAME: 4-(4-bromophenyl)piperidin-1-ium-4-ol
MOLECULAR FORMULA: C11H15BrNO+
MOLECULAR WEIGHT: 257.1469
SMILES: C1C[NH2+]CCC1(C2=CC=C(C=C2)Br)O
Structure:
CAS RN: 21080-92-2
CAS Name: 2-(3-thiophenyl)propanedioate
OPENEYE Name: 2-(3-thienyl)propanedioate
IUPAC Name: 2-thiophen-3-ylpropanedioate
SYSTEMATIC NAME: 2-thiophen-3-ylpropanedioate
MOLECULAR FORMULA: C7H4O4S-2
MOLECULAR WEIGHT: 184.16926
SMILES: C1=CSC=C1C(C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 163061-73-2
CAS Name: (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
OPENEYE Name: (1R,2R)-1-aminoindan-2-ol
IUPAC Name: (1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
SYSTEMATIC NAME: (1R,2R)-1-azanyl-2,3-dihydro-1H-inden-2-ol
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)N)O
Structure:
CAS RN: 771-91-5
CAS Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
OPENEYE Name: 4-[(1R,2S)-2-amino-1-hydroxy-propyl]phenol
IUPAC Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
SYSTEMATIC NAME: 4-[(1R,2S)-2-azanyl-1-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)N
Structure:
CAS RN: 14438-32-5
CAS Name: 2-amino-3,5-dimethylbenzoate
OPENEYE Name: 2-amino-3,5-dimethyl-benzoate
IUPAC Name: 2-amino-3,5-dimethylbenzoate
SYSTEMATIC NAME: 2-azanyl-3,5-dimethyl-benzoate
MOLECULAR FORMULA: C9H10NO2-
MOLECULAR WEIGHT: 164.1812
SMILES: CC1=CC(=C(C(=C1)C(=O)[O-])N)C
Structure:
CAS RN: 5653-40-7
CAS Name: 2-amino-4,5-dimethoxybenzoate
OPENEYE Name: 2-amino-4,5-dimethoxy-benzoate
IUPAC Name: 2-amino-4,5-dimethoxybenzoate
SYSTEMATIC NAME: 2-azanyl-4,5-dimethoxy-benzoate
MOLECULAR FORMULA: C9H10NO4-
MOLECULAR WEIGHT: 196.18
SMILES: COC1=C(C=C(C(=C1)C(=O)[O-])N)OC
Structure:
CAS RN: 121082-99-3
CAS Name: [(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]ammonium
OPENEYE Name: [(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]ammonium
IUPAC Name: [(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
SYSTEMATIC NAME: [(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
MOLECULAR FORMULA: C11H18NO3+
MOLECULAR WEIGHT: 212.26552
SMILES: C[C@H](C1=CC(=C(C(=C1)OC)OC)OC)[NH3+]
Structure:
CAS RN: 121082-99-3
CAS Name: [(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]ammonium
OPENEYE Name: [(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]ammonium
IUPAC Name: [(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
SYSTEMATIC NAME: [(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]azanium
MOLECULAR FORMULA: C11H18NO3+
MOLECULAR WEIGHT: 212.26552
SMILES: C[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)[NH3+]
Structure:
CAS RN: 6014-07-9
CAS Name: 1-phenyl-4-pyrazolo[3,4-d]pyrimidinethiolate
OPENEYE Name: 1-phenylpyrazolo[3,4-d]pyrimidine-4-thiolate
IUPAC Name: 1-phenylpyrazolo[3,4-d]pyrimidine-4-thiolate
SYSTEMATIC NAME: 1-phenylpyrazolo[3,4-d]pyrimidine-4-thiolate
MOLECULAR FORMULA: C11H7N4S-
MOLECULAR WEIGHT: 227.26508
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)[S-]
Structure:
CAS RN: 37132-68-6
CAS Name: [amino-(3-aminophenyl)methylidene]ammonium
OPENEYE Name: [amino-(3-aminophenyl)methylene]ammonium
IUPAC Name: [amino-(3-aminophenyl)methylidene]azanium
SYSTEMATIC NAME: [(3-aminophenyl)-azanyl-methylidene]azanium
MOLECULAR FORMULA: C7H10N3+
MOLECULAR WEIGHT: 136.1744
SMILES: C1=CC(=CC(=C1)N)C(=[NH2+])N
Structure:
CAS RN: 59-53-0
CAS Name: (2R)-2-acetamido-3-mercapto-3-methylbutanoate
OPENEYE Name: (2R)-2-acetamido-3-methyl-3-sulfanyl-butanoate
IUPAC Name: (2R)-2-acetamido-3-methyl-3-sulfanylbutanoate
SYSTEMATIC NAME: (2R)-2-acetamido-3-methyl-3-sulfanyl-butanoate
MOLECULAR FORMULA: C7H12NO3S-
MOLECULAR WEIGHT: 190.24008
SMILES: CC(=O)N[C@H](C(=O)[O-])C(C)(C)S
Structure:
CAS RN: 59-53-0
CAS Name: (2S)-2-acetamido-3-mercapto-3-methylbutanoate
OPENEYE Name: (2S)-2-acetamido-3-methyl-3-sulfanyl-butanoate
IUPAC Name: (2S)-2-acetamido-3-methyl-3-sulfanylbutanoate
SYSTEMATIC NAME: (2S)-2-acetamido-3-methyl-3-sulfanyl-butanoate
MOLECULAR FORMULA: C7H12NO3S-
MOLECULAR WEIGHT: 190.24008
SMILES: CC(=O)N[C@@H](C(=O)[O-])C(C)(C)S
Structure:
CAS RN: 875-74-1
CAS Name: (2R)-2-ammonio-2-phenylacetate
OPENEYE Name: (2R)-2-azaniumyl-2-phenyl-acetate
IUPAC Name: (2R)-2-azaniumyl-2-phenylacetate
SYSTEMATIC NAME: (2R)-2-azaniumyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1=CC=C(C=C1)[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 197507-59-8
CAS Name: 1,6-naphthyridine-2-carboxylate
OPENEYE Name: 1,6-naphthyridine-2-carboxylate
IUPAC Name: 1,6-naphthyridine-2-carboxylate
SYSTEMATIC NAME: 1,6-naphthyridine-2-carboxylate
MOLECULAR FORMULA: C9H5N2O2-
MOLECULAR WEIGHT: 173.1482
SMILES: C1=CC(=NC2=C1C=NC=C2)C(=O)[O-]
Structure:
CAS RN: 180253-66-1
CAS Name: [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methylammonium
OPENEYE Name: [2-(tert-butoxycarbonylamino)phenyl]methylammonium
IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylazanium
SYSTEMATIC NAME: [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylazanium
MOLECULAR FORMULA: C12H19N2O2+
MOLECULAR WEIGHT: 223.29146
SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1C[NH3+]
Structure:
CAS RN: 212755-81-2
CAS Name: 6-(1,3-dioxopropan-2-ylidene)-1H-pyridine-3-carboxylate
OPENEYE Name: 6-(1-formyl-2-oxo-ethylidene)-1H-pyridine-3-carboxylate
IUPAC Name: 6-(1,3-dioxopropan-2-ylidene)-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: 6-[1,3-bis(oxidanylidene)propan-2-ylidene]-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C9H6NO4-
MOLECULAR WEIGHT: 192.14824
SMILES: C1=CC(=C(C=O)C=O)NC=C1C(=O)[O-]
Structure:
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