CAS RN: 5801-57-0
CAS Name: (Z)-2-hydroxy-3-phenyl-2-propenoic acid
OPENEYE Name: (Z)-2-hydroxy-3-phenyl-prop-2-enoic acid
IUPAC Name: (Z)-2-hydroxy-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-oxidanyl-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C1=CC=C(C=C1)/C=C(/C(=O)O)\O
Structure:
CAS RN: 1949-78-6
CAS Name: (2R,3R,4R,5S)-oxane-2,3,4,5-tetrol
OPENEYE Name: (2R,3R,4R,5S)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2R,3R,4R,5S)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2R,3R,4R,5S)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
Structure:
CAS RN: 63968-64-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C(=O)O[C@@H]3[C@]24[C@@H]1CC[C@@](O3)(OO4)C)C
Structure:
CAS RN: 28620-12-4
CAS Name: 6-nitro-3H-1,3-benzothiazol-2-one
OPENEYE Name: 6-nitro-3H-1,3-benzothiazol-2-one
IUPAC Name: 6-nitro-3H-1,3-benzothiazol-2-one
SYSTEMATIC NAME: 6-nitro-3H-1,3-benzothiazol-2-one
MOLECULAR FORMULA: C7H4N2O3S
MOLECULAR WEIGHT: 196.18326
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=O)N2
Structure:
CAS RN: 41720-98-3
CAS Name: (2R)-2-methylpyrrolidine
OPENEYE Name: (2R)-2-methylpyrrolidine
IUPAC Name: (2R)-2-methylpyrrolidine
SYSTEMATIC NAME: (2R)-2-methylpyrrolidine
MOLECULAR FORMULA: C5H11N
MOLECULAR WEIGHT: 85.14754
SMILES: C[C@@H]1CCCN1
Structure:
CAS RN: 13423-15-9
CAS Name: (3R)-3-methyloxolane
OPENEYE Name: (3R)-3-methyltetrahydrofuran
IUPAC Name: (3R)-3-methyloxolane
SYSTEMATIC NAME: (3R)-3-methyloxolane
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C[C@@H]1CCOC1
Structure:
CAS RN: 95530-58-8
CAS Name: (4R)-4-propan-2-yl-2-oxazolidinone
OPENEYE Name: (4R)-4-isopropyloxazolidin-2-one
IUPAC Name: (4R)-4-propan-2-yl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R)-4-propan-2-yl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CC(C)[C@@H]1COC(=O)N1
Structure:
CAS RN: 98974-04-0
CAS Name: (4R)-4-ethyl-2-oxazolidinone
OPENEYE Name: (4R)-4-ethyloxazolidin-2-one
IUPAC Name: (4R)-4-ethyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R)-4-ethyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CC[C@@H]1COC(=O)N1
Structure:
CAS RN: 42185-06-8
CAS Name: (3R)-3-methylmorpholine
OPENEYE Name: (3R)-3-methylmorpholine
IUPAC Name: (3R)-3-methylmorpholine
SYSTEMATIC NAME: (3R)-3-methylmorpholine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C[C@@H]1COCCN1
Structure:
CAS RN: 59229-57-1
CAS Name: (2R)-2-methylmorpholine
OPENEYE Name: (2R)-2-methylmorpholine
IUPAC Name: (2R)-2-methylmorpholine
SYSTEMATIC NAME: (2R)-2-methylmorpholine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C[C@@H]1CNCCO1
Structure:
CAS RN: 22038-86-4
CAS Name: (1R)-1-(4-methoxyphenyl)ethanamine
OPENEYE Name: (1R)-1-(4-methoxyphenyl)ethanamine
IUPAC Name: (1R)-1-(4-methoxyphenyl)ethanamine
SYSTEMATIC NAME: (1R)-1-(4-methoxyphenyl)ethanamine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C[C@H](C1=CC=C(C=C1)OC)N
Structure:
CAS RN: 7497-61-2
CAS Name: (3R)-3-hydroxy-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (3R)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: methyl (3R)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: methyl (3R)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC(=O)C[C@H](C1=CC=CC=C1)O
Structure:
CAS RN: 58692-70-9
CAS Name: (3R)-3-hydroxy-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (3R)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: methyl (3R)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: methyl (3R)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC(=O)C[C@H](C1=CC=CC=C1)O
Structure:
CAS RN: 1866-31-5
CAS Name: (E)-3-phenyl-2-propenoic acid prop-2-enyl ester
OPENEYE Name: allyl (E)-3-phenylprop-2-enoate
IUPAC Name: prop-2-enyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: prop-2-enyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C=CCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 6069-68-7
CAS Name: (2E)-3-oxo-2-(phenylmethylene)butanoic acid methyl ester
OPENEYE Name: methyl (2E)-2-benzylidene-3-oxo-butanoate
IUPAC Name: methyl (2E)-2-benzylidene-3-oxobutanoate
SYSTEMATIC NAME: methyl (2E)-3-oxidanylidene-2-(phenylmethylidene)butanoate
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CC(=O)/C(=C\C1=CC=CC=C1)/C(=O)OC
Structure:
CAS RN: 14561-93-4
CAS Name: (E)-3-(2-chlorophenyl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C12H10ClNO2
MOLECULAR WEIGHT: 235.6663
SMILES: CCOC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N
Structure:
CAS RN: 39027-57-1
CAS Name: (3S)-3-(4-methylphenyl)butanoic acid
OPENEYE Name: (3S)-3-(p-tolyl)butanoic acid
IUPAC Name: (3S)-3-(4-methylphenyl)butanoic acid
SYSTEMATIC NAME: (3S)-3-(4-methylphenyl)butanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC=C(C=C1)[C@@H](C)CC(=O)O
Structure:
CAS RN: 2538-87-6
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenal
OPENEYE Name: (E)-3-(4-hydroxyphenyl)prop-2-enal
IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(4-hydroxyphenyl)prop-2-enal
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1=CC(=CC=C1/C=C/C=O)O
Structure:
CAS RN: 1504-74-1
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenal
OPENEYE Name: (E)-3-(2-methoxyphenyl)prop-2-enal
IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: COC1=CC=CC=C1/C=C/C=O
Structure:
CAS RN: 832-01-9
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)OC
Structure:
CAS RN: 3901-07-3
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)OC
Structure:
CAS RN: 15638-14-9
CAS Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
OPENEYE Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)vinyl]benzene
IUPAC Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC
Structure:
CAS RN: 4705-34-4
CAS Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
OPENEYE Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)vinyl]benzene
IUPAC Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC
Structure:
CAS RN: 1963-36-6
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenal
OPENEYE Name: (E)-3-(4-methoxyphenyl)prop-2-enal
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: COC1=CC=C(C=C1)/C=C/C=O
Structure:
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