CAS RN: 16978-09-9
CAS Name: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid hexyl ester
OPENEYE Name: hexyl 2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetate
IUPAC Name: hexyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
SYSTEMATIC NAME: hexyl 2-(3-ethanoyl-2,2-dimethyl-cyclobutyl)ethanoate
MOLECULAR FORMULA: C16H28O3
MOLECULAR WEIGHT: 268.39172
SMILES: CCCCCCOC(=O)CC1CC(C1(C)C)C(=O)C
Structure:
CAS RN: 17050-67-8
CAS Name: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid hexyl ester
OPENEYE Name: hexyl 2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetate
IUPAC Name: hexyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
SYSTEMATIC NAME: hexyl 2-(3-ethanoyl-2,2-dimethyl-cyclobutyl)ethanoate
MOLECULAR FORMULA: C16H28O3
MOLECULAR WEIGHT: 268.39172
SMILES: CCCCCCOC(=O)CC1CC(C1(C)C)C(=O)C
Structure:
CAS RN: 2517-52-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: COC1=CC=CC2=C1N([C@]34[C@]25CCN6[C@H]5[C@](CCC6)(CC3)C[C@H]4C(=O)OC)C=O
Structure:
CAS RN: 155-10-2
CAS Name: 2-chloro-5-fluoro-4-pyrimidinamine
OPENEYE Name: 2-chloro-5-fluoro-pyrimidin-4-amine
IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine
SYSTEMATIC NAME: 2-chloranyl-5-fluoranyl-pyrimidin-4-amine
MOLECULAR FORMULA: C4H3ClFN3
MOLECULAR WEIGHT: 147.538123
SMILES: C1=C(C(=NC(=N1)Cl)N)F
Structure:
CAS RN: 64567-62-0
CAS Name: 5-amino-2-(5-hydroxy-1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: 5-amino-2-(5-hydroxy-1,3-dioxo-isoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: 5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-[5-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O6
MOLECULAR WEIGHT: 292.24418
SMILES: C1=CC2=C(C=C1O)C(=O)N(C2=O)C(CCC(=O)N)C(=O)O
Structure:
CAS RN: 3989-36-4
CAS Name: 4-thiadiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl thiadiazole-4-carboxylate
IUPAC Name: ethyl thiadiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1,2,3-thiadiazole-4-carboxylate
MOLECULAR FORMULA: C5H6N2O2S
MOLECULAR WEIGHT: 158.17834
SMILES: CCOC(=O)C1=CSN=N1
Structure:
CAS RN: 103620-23-1
CAS Name: 1,3-bis(4-phenylmethoxyphenyl)urea
OPENEYE Name: 1,3-bis(4-benzyloxyphenyl)urea
IUPAC Name: 1,3-bis(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1,3-bis(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C27H24N2O3
MOLECULAR WEIGHT: 424.49106
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 16295-88-8
CAS Name: 1-(2-chloroethyl)-3-[4-[[4-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]methyl]phenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)phenyl]methyl]phenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)phenyl]methyl]phenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)phenyl]methyl]phenyl]urea
MOLECULAR FORMULA: C19H22Cl2N4O2
MOLECULAR WEIGHT: 409.30958
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)NCCCl)NC(=O)NCCCl
Structure:
CAS RN: 162478-62-8
CAS Name: 1-(2-chloroethyl)-3-(4-cyanophenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-cyanophenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-cyanophenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-cyanophenyl)urea
MOLECULAR FORMULA: C10H10ClN3O
MOLECULAR WEIGHT: 223.6589
SMILES: C1=CC(=CC=C1C#N)NC(=O)NCCCl
Structure:
CAS RN: 33215-69-9
CAS Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxyurea
OPENEYE Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxy-urea
IUPAC Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methoxyurea
SYSTEMATIC NAME: 1-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-methoxy-urea
MOLECULAR FORMULA: C6H8N4O4
MOLECULAR WEIGHT: 200.15212
SMILES: CONC(=O)NC1=CNC(=O)NC1=O
Structure:
CAS RN: 378-72-3
CAS Name: 1-phenyl-3-phenylmethoxyurea
OPENEYE Name: 1-benzyloxy-3-phenyl-urea
IUPAC Name: 1-phenyl-3-phenylmethoxyurea
SYSTEMATIC NAME: 1-phenyl-3-phenylmethoxy-urea
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: C1=CC=C(C=C1)CONC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 13288-40-9
CAS Name: 1-(2,3,4-trihydroxyphenyl)-1-decanone
OPENEYE Name: 1-(2,3,4-trihydroxyphenyl)decan-1-one
IUPAC Name: 1-(2,3,4-trihydroxyphenyl)decan-1-one
SYSTEMATIC NAME: 1-[2,3,4-tris(oxidanyl)phenyl]decan-1-one
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CCCCCCCCCC(=O)C1=C(C(=C(C=C1)O)O)O
Structure:
CAS RN: 60509-42-4
CAS Name: 2-oxo-5-phenyl-3-oxolanecarboxylic acid
OPENEYE Name: 2-oxo-5-phenyl-tetrahydrofuran-3-carboxylic acid
IUPAC Name: 2-oxo-5-phenyloxolane-3-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-5-phenyl-oxolane-3-carboxylic acid
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: C1C(C(=O)OC1C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 15678-07-6
CAS Name: 2,4,6-tris(2-chloroethyl)-1,3,5-trioxane
OPENEYE Name: 2,4,6-tris(2-chloroethyl)-1,3,5-trioxane
IUPAC Name: 2,4,6-tris(2-chloroethyl)-1,3,5-trioxane
SYSTEMATIC NAME: 2,4,6-tris(2-chloroethyl)-1,3,5-trioxane
MOLECULAR FORMULA: C9H15Cl3O3
MOLECULAR WEIGHT: 277.5726
SMILES: C(CCl)C1OC(OC(O1)CCCl)CCCl
Structure:
CAS RN: 63589-45-7
CAS Name: 1-(4-bromophenoxy)-2-nitrobenzene
OPENEYE Name: 1-(4-bromophenoxy)-2-nitro-benzene
IUPAC Name: 1-(4-bromophenoxy)-2-nitrobenzene
SYSTEMATIC NAME: 1-(4-bromanylphenoxy)-2-nitro-benzene
MOLECULAR FORMULA: C12H8BrNO3
MOLECULAR WEIGHT: 294.10082
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Br
Structure:
CAS RN: 73781-91-6
CAS Name: 6-chloro-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-chloropyridine-3-carboxylate
IUPAC Name: methyl 6-chloropyridine-3-carboxylate
SYSTEMATIC NAME: methyl 6-chloranylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: COC(=O)C1=CN=C(C=C1)Cl
Structure:
CAS RN: 2450-08-0
CAS Name: 4-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl pyrimidine-4-carboxylate
IUPAC Name: methyl pyrimidine-4-carboxylate
SYSTEMATIC NAME: methyl pyrimidine-4-carboxylate
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: COC(=O)C1=NC=NC=C1
Structure:
CAS RN: 65118-81-2
CAS Name: 3-(6-hydroxy-2-naphthalenyl)-2,2-dimethylpentanoic acid
OPENEYE Name: 3-(6-hydroxy-2-naphthyl)-2,2-dimethyl-pentanoic acid
IUPAC Name: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-(6-oxidanylnaphthalen-2-yl)pentanoic acid
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
Structure:
CAS RN: 15372-37-9
CAS Name: 3-(6-hydroxy-2-naphthalenyl)-2,2-dimethylpentanoic acid
OPENEYE Name: 3-(6-hydroxy-2-naphthyl)-2,2-dimethyl-pentanoic acid
IUPAC Name: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-(6-oxidanylnaphthalen-2-yl)pentanoic acid
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
Structure:
CAS RN: 65689-53-4
CAS Name: 3-(6-hydroxy-2-naphthalenyl)-2,2-dimethylpentanoic acid
OPENEYE Name: 3-(6-hydroxy-2-naphthyl)-2,2-dimethyl-pentanoic acid
IUPAC Name: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-(6-oxidanylnaphthalen-2-yl)pentanoic acid
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
Structure:
CAS RN: 17660-00-3
CAS Name: 3-(6-hydroxy-2-naphthalenyl)-2,2-dimethylpentanoic acid
OPENEYE Name: 3-(6-hydroxy-2-naphthyl)-2,2-dimethyl-pentanoic acid
IUPAC Name: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-(6-oxidanylnaphthalen-2-yl)pentanoic acid
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
Structure:
CAS RN: 20664-58-8
CAS Name: 3-(6-hydroxy-2-naphthalenyl)-2,2-dimethylpentanoic acid
OPENEYE Name: 3-(6-hydroxy-2-naphthyl)-2,2-dimethyl-pentanoic acid
IUPAC Name: 3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-(6-oxidanylnaphthalen-2-yl)pentanoic acid
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
Structure:
CAS RN: 23950-04-1
CAS Name: (4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydrochrysen-1-one
OPENEYE Name: (4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydrochrysen-1-one
IUPAC Name: (4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydrochrysen-1-one
SYSTEMATIC NAME: (4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydrochrysen-1-one
MOLECULAR FORMULA: C20H24O2
MOLECULAR WEIGHT: 296.40336
SMILES: C[C@]12CCC3=C([C@@H]1CCCC2=O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 22820-29-7
CAS Name: (1S,4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydro-1H-chrysen-1-ol
OPENEYE Name: (1S,4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydro-1H-chrysen-1-ol
IUPAC Name: (1S,4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydro-1H-chrysen-1-ol
SYSTEMATIC NAME: (1S,4aS,12aS)-8-methoxy-12a-methyl-2,3,4,4a,5,6,11,12-octahydro-1H-chrysen-1-ol
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: C[C@]12CCC3=C([C@@H]1CCC[C@@H]2O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 17874-76-9
CAS Name: 9-(2-furanylmethyl)-3H-purin-6-one
OPENEYE Name: 9-(2-furylmethyl)-3H-purin-6-one
IUPAC Name: 9-(furan-2-ylmethyl)-3H-purin-6-one
SYSTEMATIC NAME: 9-(furan-2-ylmethyl)-3H-purin-6-one
MOLECULAR FORMULA: C10H8N4O2
MOLECULAR WEIGHT: 216.19612
SMILES: C1=COC(=C1)CN2C=NC3=C2NC=NC3=O
Structure:
CAS RN: 21120-91-2
CAS Name: N4,N6-bis(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine
OPENEYE Name: N4,N6-bis(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine
IUPAC Name: 4-N,6-N-bis(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: N4,N6-bis(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C14H13N5O4
MOLECULAR WEIGHT: 315.28412
SMILES: C1=COC(=C1)CNC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]
Structure:
CAS RN: 6931-11-9
CAS Name: 3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium
OPENEYE Name: 3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium
IUPAC Name: 3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium
SYSTEMATIC NAME: 3,3,5-trimethyl-1-oxidanidyl-2,4-dihydropyrrol-1-ium
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC1=[N+](CC(C1)(C)C)[O-]
Structure:
CAS RN: 4314-36-7
CAS Name: (2-amino-4-methoxyphenyl)-phenylmethanone
OPENEYE Name: (2-amino-4-methoxy-phenyl)-phenyl-methanone
IUPAC Name: (2-amino-4-methoxyphenyl)-phenylmethanone
SYSTEMATIC NAME: (2-azanyl-4-methoxy-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)N
Structure:
CAS RN: 35582-80-0
CAS Name: 4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-2-one
OPENEYE Name: 4-(3,4-dimethoxyphenyl)-7-methoxy-chroman-2-one
IUPAC Name: 4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
SYSTEMATIC NAME: 4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: COC1=CC2=C(C=C1)C(CC(=O)O2)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 5335-19-3
CAS Name: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
IUPAC Name: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC
Structure:
CAS RN: 62475-58-5
CAS Name: 2-[(2,4-dimethoxyphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(2,4-dimethoxybenzoyl)benzoic acid
IUPAC Name: 2-(2,4-dimethoxybenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)OC
Structure:
CAS RN: 15128-50-4
CAS Name: benzo[c][1]benzoxepin-6,11-dione
OPENEYE Name: benzo[c][1]benzoxepine-6,11-dione
IUPAC Name: benzo[c][1]benzoxepine-6,11-dione
SYSTEMATIC NAME: benzo[c][1]benzoxepine-6,11-dione
MOLECULAR FORMULA: C14H8O3
MOLECULAR WEIGHT: 224.21152
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3OC2=O
Structure:
CAS RN: 2577-83-5
CAS Name: 2-(2-methoxyphenoxy)aniline
OPENEYE Name: 2-(2-methoxyphenoxy)aniline
IUPAC Name: 2-(2-methoxyphenoxy)aniline
SYSTEMATIC NAME: 2-(2-methoxyphenoxy)aniline
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2N
Structure:
CAS RN: 4945-26-0
CAS Name: 2-(2-phenylethenyl)quinoline
OPENEYE Name: 2-styrylquinoline
IUPAC Name: 2-(2-phenylethenyl)quinoline
SYSTEMATIC NAME: 2-(2-phenylethenyl)quinoline
MOLECULAR FORMULA: C17H13N
MOLECULAR WEIGHT: 231.29182
SMILES: C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C=C2
Structure:
CAS RN: 38101-69-8
CAS Name: 2-(2-phenylethenyl)quinoline
OPENEYE Name: 2-styrylquinoline
IUPAC Name: 2-(2-phenylethenyl)quinoline
SYSTEMATIC NAME: 2-(2-phenylethenyl)quinoline
MOLECULAR FORMULA: C17H13N
MOLECULAR WEIGHT: 231.29182
SMILES: C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C=C2
Structure:
CAS RN: 90676-93-0
CAS Name: 1-(2,4-dihydroxy-6-methylphenyl)ethanone
OPENEYE Name: 1-(2,4-dihydroxy-6-methyl-phenyl)ethanone
IUPAC Name: 1-(2,4-dihydroxy-6-methylphenyl)ethanone
SYSTEMATIC NAME: 1-[2-methyl-4,6-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC1=CC(=CC(=C1C(=O)C)O)O
Structure:
No comments:
Post a Comment