CAS RN: 22323-82-6
CAS Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CC1(OC[C@@H](O1)CO)C
Structure:
CAS RN: 2243-53-0
CAS Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CC1(OC[C@@H](O1)CO)C
Structure:
CAS RN: 14347-78-5
CAS Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
IUPAC Name: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CC1(OC[C@H](O1)CO)C
Structure:
CAS RN: 5417-20-9
CAS Name: (3S)-3-hydroxy-4,4-dimethyl-2-oxolanone
OPENEYE Name: (3S)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one
IUPAC Name: (3S)-3-hydroxy-4,4-dimethyloxolan-2-one
SYSTEMATIC NAME: (3S)-4,4-dimethyl-3-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC1(COC(=O)[C@H]1O)C
Structure:
CAS RN: 21084-22-0
CAS Name: [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
OPENEYE Name: [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
IUPAC Name: [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C15H8F6O
MOLECULAR WEIGHT: 318.213839
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 1608-67-9
CAS Name: 2-(ethylthio)-2,2-diphenylacetic acid
OPENEYE Name: 2-ethylsulfanyl-2,2-diphenyl-acetic acid
IUPAC Name: 2-ethylsulfanyl-2,2-diphenylacetic acid
SYSTEMATIC NAME: 2-ethylsulfanyl-2,2-diphenyl-ethanoic acid
MOLECULAR FORMULA: C16H16O2S
MOLECULAR WEIGHT: 272.36204
SMILES: CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 5259-50-7
CAS Name: (1R,4S,5R)-4-methoxy-5-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester
OPENEYE Name: methyl (1R,4S,5R)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
IUPAC Name: methyl (1R,4S,5R)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
SYSTEMATIC NAME: methyl (1R,4S,5R)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: COC(=O)[C@@H]1C[C@H]2CC[C@@]1(C=C2)OC
Structure:
CAS RN: 22629-06-7
CAS Name: (2R)-2-(2-methylpropoxy)-1,2-diphenylethanone
OPENEYE Name: (2R)-2-isobutoxy-1,2-diphenyl-ethanone
IUPAC Name: (2R)-2-(2-methylpropoxy)-1,2-diphenylethanone
SYSTEMATIC NAME: (2R)-2-(2-methylpropoxy)-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(C)CO[C@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 22499-12-3
CAS Name: (2R)-2-(2-methylpropoxy)-1,2-diphenylethanone
OPENEYE Name: (2R)-2-isobutoxy-1,2-diphenyl-ethanone
IUPAC Name: (2R)-2-(2-methylpropoxy)-1,2-diphenylethanone
SYSTEMATIC NAME: (2R)-2-(2-methylpropoxy)-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(C)CO[C@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 22627-70-9
CAS Name: (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
OPENEYE Name: (2S)-2-isobutoxy-1,2-diphenyl-ethanone
IUPAC Name: (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
SYSTEMATIC NAME: (2S)-2-(2-methylpropoxy)-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(C)CO[C@@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 22499-12-3
CAS Name: (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
OPENEYE Name: (2S)-2-isobutoxy-1,2-diphenyl-ethanone
IUPAC Name: (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
SYSTEMATIC NAME: (2S)-2-(2-methylpropoxy)-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(C)CO[C@@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 105942-08-3
CAS Name: 4-bromo-2-fluorobenzonitrile
OPENEYE Name: 4-bromo-2-fluoro-benzonitrile
IUPAC Name: 4-bromo-2-fluorobenzonitrile
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrFN
MOLECULAR WEIGHT: 200.007823
SMILES: C1=CC(=C(C=C1Br)F)C#N
Structure:
CAS RN: 3390-61-2
CAS Name: (3R)-N,N-diethyl-3-piperidinecarboxamide
OPENEYE Name: (3R)-N,N-diethylpiperidine-3-carboxamide
IUPAC Name: (3R)-N,N-diethylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N,N-diethylpiperidine-3-carboxamide
MOLECULAR FORMULA: C10H20N2O
MOLECULAR WEIGHT: 184.2786
SMILES: CCN(CC)C(=O)[C@@H]1CCCNC1
Structure:
CAS RN: 69316-08-1
CAS Name: 4-(2-cyano-1-oxoethyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(2-cyanoacetyl)benzoate
IUPAC Name: methyl 4-(2-cyanoacetyl)benzoate
SYSTEMATIC NAME: methyl 4-(2-cyanoethanoyl)benzoate
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)CC#N
Structure:
CAS RN: 313527-38-7
CAS Name: 2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
OPENEYE Name: 2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
IUPAC Name: 2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-1,3-benzoxazol-5-amine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N
Structure:
CAS RN: 349609-85-4
CAS Name: 2-pyridin-4-yl-1,3-benzoxazol-5-amine
OPENEYE Name: 2-(4-pyridyl)-1,3-benzoxazol-5-amine
IUPAC Name: 2-pyridin-4-yl-1,3-benzoxazol-5-amine
SYSTEMATIC NAME: 2-pyridin-4-yl-1,3-benzoxazol-5-amine
MOLECULAR FORMULA: C12H9N3O
MOLECULAR WEIGHT: 211.21936
SMILES: C1=CC2=C(C=C1N)N=C(O2)C3=CC=NC=C3
Structure:
CAS RN: 61382-21-6
CAS Name: 2-(3-pyridinyl)-1,3-benzoxazol-5-amine
OPENEYE Name: 2-(3-pyridyl)-1,3-benzoxazol-5-amine
IUPAC Name: 2-pyridin-3-yl-1,3-benzoxazol-5-amine
SYSTEMATIC NAME: 2-pyridin-3-yl-1,3-benzoxazol-5-amine
MOLECULAR FORMULA: C12H9N3O
MOLECULAR WEIGHT: 211.21936
SMILES: C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)N
Structure:
CAS RN: 143673-66-9
CAS Name: (3R)-3-propan-2-ylpiperazine-2,5-dione
OPENEYE Name: (3R)-3-isopropylpiperazine-2,5-dione
IUPAC Name: (3R)-3-propan-2-ylpiperazine-2,5-dione
SYSTEMATIC NAME: (3R)-3-propan-2-ylpiperazine-2,5-dione
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CC(C)[C@@H]1C(=O)NCC(=O)N1
Structure:
CAS RN: 292058-51-6
CAS Name: 4-(6-methyl-1,3-benzoxazol-2-yl)aniline
OPENEYE Name: 4-(6-methyl-1,3-benzoxazol-2-yl)aniline
IUPAC Name: 4-(6-methyl-1,3-benzoxazol-2-yl)aniline
SYSTEMATIC NAME: 4-(6-methyl-1,3-benzoxazol-2-yl)aniline
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)N
Structure:
CAS RN: 54714-11-3
CAS Name: 5,5-dioxo-4,6-diphenyl-2-thieno[3,4-d][1,3]dioxolone
OPENEYE Name: 5,5-dioxo-4,6-diphenyl-thieno[3,4-d][1,3]dioxol-2-one
IUPAC Name: 5,5-dioxo-4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
SYSTEMATIC NAME: 5,5-bis(oxidanylidene)-4,6-diphenyl-thieno[3,4-d][1,3]dioxol-2-one
MOLECULAR FORMULA: C17H10O5S
MOLECULAR WEIGHT: 326.3233
SMILES: C1=CC=C(C=C1)C2=C3C(=C(S2(=O)=O)C4=CC=CC=C4)OC(=O)O3
Structure:
CAS RN: 15690-25-2
CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid
OPENEYE Name: (E)-3-(2-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-thiophen-2-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-thiophen-2-ylprop-2-enoic acid
MOLECULAR FORMULA: C7H6O2S
MOLECULAR WEIGHT: 154.18634
SMILES: C1=CSC(=C1)/C=C/C(=O)O
Structure:
CAS RN: 32566-01-1
CAS Name: 2-(1H-indol-2-yl)aniline
OPENEYE Name: 2-(1H-indol-2-yl)aniline
IUPAC Name: 2-(1H-indol-2-yl)aniline
SYSTEMATIC NAME: 2-(1H-indol-2-yl)aniline
MOLECULAR FORMULA: C14H12N2
MOLECULAR WEIGHT: 208.25848
SMILES: C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=C3N
Structure:
CAS RN: 959-28-4
CAS Name: (E)-1,4-diphenyl-2-butene-1,4-dione
OPENEYE Name: (E)-1,4-diphenylbut-2-ene-1,4-dione
IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-diphenylbut-2-ene-1,4-dione
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 4070-75-1
CAS Name: (E)-1,4-diphenyl-2-butene-1,4-dione
OPENEYE Name: (E)-1,4-diphenylbut-2-ene-1,4-dione
IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-diphenylbut-2-ene-1,4-dione
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 38026-46-9
CAS Name: 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C7H8N2O3S
MOLECULAR WEIGHT: 200.21502
SMILES: CCOC(=O)C1=CNC(=S)NC1=O
Structure:
CAS RN: 874-83-9
CAS Name: (E)-4-thiophen-2-yl-3-buten-2-one
OPENEYE Name: (E)-4-(2-thienyl)but-3-en-2-one
IUPAC Name: (E)-4-thiophen-2-ylbut-3-en-2-one
SYSTEMATIC NAME: (E)-4-thiophen-2-ylbut-3-en-2-one
MOLECULAR FORMULA: C8H8OS
MOLECULAR WEIGHT: 152.21352
SMILES: CC(=O)/C=C/C1=CC=CS1
Structure:
CAS RN: 623-15-4
CAS Name: (E)-4-(2-furanyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-furyl)but-3-en-2-one
IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(furan-2-yl)but-3-en-2-one
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 25398-39-4
CAS Name: (E)-4-(2-furanyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-furyl)but-3-en-2-one
IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(furan-2-yl)but-3-en-2-one
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 929900-26-5
CAS Name: (E)-4-(2-furanyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-furyl)but-3-en-2-one
IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(furan-2-yl)but-3-en-2-one
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 132836-66-9
CAS Name: (4R)-3-acetyl-4-(phenylmethyl)-2-oxazolidinone
OPENEYE Name: (4R)-3-acetyl-4-benzyl-oxazolidin-2-one
IUPAC Name: (4R)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R)-3-ethanoyl-4-(phenylmethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC(=O)N1[C@@H](COC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 61424-76-8
CAS Name: 2-amino-4-oxo-1-benzopyran-3-carboxaldehyde
OPENEYE Name: 2-amino-4-oxo-chromene-3-carbaldehyde
IUPAC Name: 2-amino-4-oxochromene-3-carbaldehyde
SYSTEMATIC NAME: 2-azanyl-4-oxidanylidene-chromene-3-carbaldehyde
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O
Structure:
CAS RN: 612-41-9
CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 1013-96-3
CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 62718-31-4
CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 13153-01-0
CAS Name: 1-benzamido-3-phenylthiourea
OPENEYE Name: 1-benzamido-3-phenyl-thiourea
IUPAC Name: 1-benzamido-3-phenylthiourea
SYSTEMATIC NAME: 1-benzamido-3-phenyl-thiourea
MOLECULAR FORMULA: C14H13N3OS
MOLECULAR WEIGHT: 271.33752
SMILES: C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 299921-01-0
CAS Name: 1-methylsulfonyl-2,3-dihydroindol-5-amine
OPENEYE Name: 1-methylsulfonylindolin-5-amine
IUPAC Name: 1-methylsulfonyl-2,3-dihydroindol-5-amine
SYSTEMATIC NAME: 1-methylsulfonyl-2,3-dihydroindol-5-amine
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: CS(=O)(=O)N1CCC2=C1C=CC(=C2)N
Structure:
CAS RN: 5121-09-5
CAS Name: 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
OPENEYE Name: 2-(4-chlorophenyl)-6-methyl-imidazo[1,2-a]pyridine
IUPAC Name: 2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-methyl-imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C14H11ClN2
MOLECULAR WEIGHT: 242.70354
SMILES: CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)Cl
Structure:
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