CAS RN: 6633-56-3
CAS Name: 1-[2-chloro-1-(4-methylphenyl)propyl]-4-methylbenzene
OPENEYE Name: 1-[2-chloro-1-(p-tolyl)propyl]-4-methyl-benzene
IUPAC Name: 1-[2-chloro-1-(4-methylphenyl)propyl]-4-methylbenzene
SYSTEMATIC NAME: 1-[2-chloranyl-1-(4-methylphenyl)propyl]-4-methyl-benzene
MOLECULAR FORMULA: C17H19Cl
MOLECULAR WEIGHT: 258.78576
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(C)Cl
Structure:
CAS RN: 6629-22-7
CAS Name: (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
OPENEYE Name: (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
IUPAC Name: (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: (1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C39H46N2O6
MOLECULAR WEIGHT: 638.79234
SMILES: CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
Structure:
CAS RN: 59564-59-9
CAS Name: 3,4-dihydro-1H-quinoxalin-2-one
OPENEYE Name: 3,4-dihydro-1H-quinoxalin-2-one
IUPAC Name: 3,4-dihydro-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3,4-dihydro-1H-quinoxalin-2-one
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1C(=O)NC2=CC=CC=C2N1
Structure:
CAS RN: 6626-74-0
CAS Name: (2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
OPENEYE Name: (2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
IUPAC Name: (2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
SYSTEMATIC NAME: (2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
MOLECULAR FORMULA: C18H23NO3
MOLECULAR WEIGHT: 301.38012
SMILES: CO[C@H]1CC=C2CCN3C2(C1)C4=CC(=CC(=C4CC3)OC)O
Structure:
CAS RN: 59465-42-8
CAS Name: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
OPENEYE Name: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
IUPAC Name: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
SYSTEMATIC NAME: N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
MOLECULAR FORMULA: C13H20ClN3
MOLECULAR WEIGHT: 253.771
SMILES: CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
Structure:
CAS RN: 6624-80-2
CAS Name: (13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
OPENEYE Name: (13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
IUPAC Name: (13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
SYSTEMATIC NAME: (13aS)-3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)O
Structure:
CAS RN: 65316-39-4
CAS Name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-yl-1-imidazolidinecarboxamide; N,N-dimethylcarbamothioic acid S-[[dimethylamino(oxo)methyl]thio] ester
OPENEYE Name: 3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxo-imidazolidine-1-carboxamide; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate
IUPAC Name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-2,4-bis(oxidanylidene)-N-propan-2-yl-imidazolidine-1-carboxamide; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate
MOLECULAR FORMULA: C19H25Cl2N5O5S2
MOLECULAR WEIGHT: 538.4683
SMILES: CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl.CN(C)C(=O)SSC(=O)N(C)C
Structure:
CAS RN: 58438-03-2
CAS Name: (2S)-2-amino-3-(2-naphthalenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2-naphthyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-naphthalen-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)O)N
Structure:
CAS RN: 64457-66-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H28N2O2
MOLECULAR WEIGHT: 292.41642
SMILES: CCO[C@H]1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@H]3CCCC4=O
Structure:
CAS RN: 58160-95-5
CAS Name: 2-(prop-2-ynylamino)acetic acid
OPENEYE Name: 2-(prop-2-ynylamino)acetic acid
IUPAC Name: 2-(prop-2-ynylamino)acetic acid
SYSTEMATIC NAME: 2-(prop-2-ynylamino)ethanoic acid
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: C#CCNCC(=O)O
Structure:
CAS RN: 69222-28-2
CAS Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
OPENEYE Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
IUPAC Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
SYSTEMATIC NAME: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1=CC=C2[C@H]3[C@H](O3)[C@@H]([C@H](C2=C1)O)O
Structure:
CAS RN: 374067-85-3
CAS Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
OPENEYE Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
IUPAC Name: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
SYSTEMATIC NAME: (1aR,2R,3S,7bS)-1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1=CC=C2[C@H]3[C@H](O3)[C@@H]([C@H](C2=C1)O)O
Structure:
CAS RN: 58006-99-8
CAS Name: 3,5-dimethyloxazolidine-2,4-dione
OPENEYE Name: 3,5-dimethyloxazolidine-2,4-dione
IUPAC Name: 3,5-dimethyl-1,3-oxazolidine-2,4-dione
SYSTEMATIC NAME: 3,5-dimethyl-1,3-oxazolidine-2,4-dione
MOLECULAR FORMULA: C5H7NO3
MOLECULAR WEIGHT: 129.11398
SMILES: CC1C(=O)N(C(=O)O1)C
Structure:
CAS RN: 63733-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42O4
MOLECULAR WEIGHT: 430.61998
SMILES: C[C@H]1[C@H]2[C@H](CC3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O)OC16CCC(CO6)C
Structure:
CAS RN: 6029-88-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H23NO5
MOLECULAR WEIGHT: 309.35752
SMILES: CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C
Structure:
CAS RN: 6029-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H23NO5
MOLECULAR WEIGHT: 309.35752
SMILES: CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C
Structure:
CAS RN: 57495-69-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H23NO5
MOLECULAR WEIGHT: 309.35752
SMILES: CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C
Structure:
CAS RN: 6366-23-0
CAS Name: (2R)-2-(1-naphthalenyloxy)propanoic acid
OPENEYE Name: (2R)-2-(1-naphthyloxy)propanoic acid
IUPAC Name: (2R)-2-naphthalen-1-yloxypropanoic acid
SYSTEMATIC NAME: (2R)-2-naphthalen-1-yloxypropanoic acid
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: C[C@H](C(=O)O)OC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 6363-90-2
CAS Name: (3S)-3-amino-2-thiolanone; perchloric acid
OPENEYE Name: (3S)-3-aminotetrahydrothiophen-2-one; perchloric acid
IUPAC Name: (3S)-3-aminothiolan-2-one; perchloric acid
SYSTEMATIC NAME: (3S)-3-azanylthiolan-2-one; perchloric acid
MOLECULAR FORMULA: C4H8ClNO5S
MOLECULAR WEIGHT: 217.62802
SMILES: C1CSC(=O)[C@H]1N.OCl(=O)(=O)=O
Structure:
CAS RN: 57093-27-3
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthalenyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl]oxy]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C29H32O12
MOLECULAR WEIGHT: 572.55718
SMILES: CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C
Structure:
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