CAS RN: 62102-30-1
CAS Name: 3-ethoxy-N-[[[2-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]-oxomethyl]-2-propenamide
OPENEYE Name: 3-ethoxy-N-[[2-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
IUPAC Name: 3-ethoxy-N-[[2-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
SYSTEMATIC NAME: 3-ethoxy-N-[[4-(hydroxymethyl)-2-oxidanyl-cyclopentyl]carbamoyl]prop-2-enamide
MOLECULAR FORMULA: C12H20N2O5
MOLECULAR WEIGHT: 272.2976
SMILES: CCOC=CC(=O)NC(=O)NC1CC(CC1O)CO
Structure:
CAS RN: 65210-64-2
CAS Name: 7,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7,8-dimethoxytetralin-2-carboxylate
IUPAC Name: ethyl 7,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 7,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CCOC(=O)C1CCC2=C(C1)C(=C(C=C2)OC)OC
Structure:
CAS RN: 51209-73-5
CAS Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol
OPENEYE Name: 4-(1,3-benzodioxol-5-ylmethyleneamino)phenol
IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)O
Structure:
CAS RN: 61948-42-3
CAS Name: 5-amino-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 5-amino-4-(2-benzyloxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid
IUPAC Name: 5-amino-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=C(C(=CN=C1C(=O)O)N)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:
CAS RN: 62370-81-4
CAS Name: benzoic acid [1-ethyl-4-(1-isoquinolinyl)-4-piperidinyl] ester
OPENEYE Name: [1-ethyl-4-(1-isoquinolyl)-4-piperidyl] benzoate
IUPAC Name: (1-ethyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate
SYSTEMATIC NAME: (1-ethyl-4-isoquinolin-1-yl-piperidin-4-yl) benzoate
MOLECULAR FORMULA: C23H24N2O2
MOLECULAR WEIGHT: 360.44886
SMILES: CCN1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 67455-76-9
CAS Name: 3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2-carbonitrile
OPENEYE Name: 3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2-carbonitrile
IUPAC Name: 3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2-carbonitrile
SYSTEMATIC NAME: 3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2-carbonitrile
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1C#N)OC)OC
Structure:
CAS RN: 54170-03-5
CAS Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylmethoxyphenyl)acetamide
OPENEYE Name: 2-(4-benzyloxyphenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]acetamide
IUPAC Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylmethoxyphenyl)acetamide
SYSTEMATIC NAME: N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2-(4-phenylmethoxyphenyl)ethanamide
MOLECULAR FORMULA: C24H25NO4
MOLECULAR WEIGHT: 391.4596
SMILES: COC1=C(C=CC(=C1)CCNC(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)O
Structure:
CAS RN: 31758-50-6
CAS Name: 6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
OPENEYE Name: 6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
IUPAC Name: 6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
SYSTEMATIC NAME: 7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC1(C2=CC(=C(C=C2CCN1)O)OC)C(=O)O
Structure:
CAS RN: 59412-21-4
CAS Name: 2,5-diphenyl-1,4-dithiin 1,1,4,4-tetraoxide
OPENEYE Name: 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide
IUPAC Name: 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide
SYSTEMATIC NAME: 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide
MOLECULAR FORMULA: C16H12O4S2
MOLECULAR WEIGHT: 332.39408
SMILES: C1=CC=C(C=C1)C2=CS(=O)(=O)C(=CS2(=O)=O)C3=CC=CC=C3
Structure:
CAS RN: 61145-31-1
CAS Name: 3-methyl-5-oxo-1-phenyl-1,2,4-triazole-4-carbonitrile
OPENEYE Name: 3-methyl-5-oxo-1-phenyl-1,2,4-triazole-4-carbonitrile
IUPAC Name: 3-methyl-5-oxo-1-phenyl-1,2,4-triazole-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-5-oxidanylidene-1-phenyl-1,2,4-triazole-4-carbonitrile
MOLECULAR FORMULA: C10H8N4O
MOLECULAR WEIGHT: 200.19672
SMILES: CC1=NN(C(=O)N1C#N)C2=CC=CC=C2
Structure:
CAS RN: 84159-85-3
CAS Name: 2-chloro-4-(2,5-dimethoxyphenyl)-4-hydroxy-1-naphthalenone
OPENEYE Name: 2-chloro-4-(2,5-dimethoxyphenyl)-4-hydroxy-naphthalen-1-one
IUPAC Name: 2-chloro-4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1-one
SYSTEMATIC NAME: 2-chloranyl-4-(2,5-dimethoxyphenyl)-4-oxidanyl-naphthalen-1-one
MOLECULAR FORMULA: C18H15ClO4
MOLECULAR WEIGHT: 330.7623
SMILES: COC1=CC(=C(C=C1)OC)C2(C=C(C(=O)C3=CC=CC=C32)Cl)O
Structure:
CAS RN: 84159-86-4
CAS Name: 4-(2,5-dimethoxyphenyl)-4-hydroxy-1-naphthalenone
OPENEYE Name: 4-(2,5-dimethoxyphenyl)-4-hydroxy-naphthalen-1-one
IUPAC Name: 4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1-one
SYSTEMATIC NAME: 4-(2,5-dimethoxyphenyl)-4-oxidanyl-naphthalen-1-one
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: COC1=CC(=C(C=C1)OC)C2(C=CC(=O)C3=CC=CC=C32)O
Structure:
CAS RN: 16368-83-5
CAS Name: 2,3-dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol
OPENEYE Name: 6,7-dichlorotetralin-5,8-diol
IUPAC Name: 2,3-dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol
SYSTEMATIC NAME: 2,3-bis(chloranyl)-5,6,7,8-tetrahydronaphthalene-1,4-diol
MOLECULAR FORMULA: C10H10Cl2O2
MOLECULAR WEIGHT: 233.0912
SMILES: C1CCC2=C(C1)C(=C(C(=C2O)Cl)Cl)O
Structure:
CAS RN: 730-73-4
CAS Name: 2-bromo-2-(4-chlorophenyl)indene-1,3-dione
OPENEYE Name: 2-bromo-2-(4-chlorophenyl)indane-1,3-dione
IUPAC Name: 2-bromo-2-(4-chlorophenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-bromanyl-2-(4-chlorophenyl)indene-1,3-dione
MOLECULAR FORMULA: C15H8BrClO2
MOLECULAR WEIGHT: 335.57982
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CC=C(C=C3)Cl)Br
Structure:
CAS RN: 15707-28-5
CAS Name: 2-(2-carbonocyanidoylphenyl)-2-oxoacetonitrile
OPENEYE Name: benzene-1,2-dicarbonyl cyanide
IUPAC Name: benzene-1,2-dicarbonyl cyanide
SYSTEMATIC NAME: 2-(2-carbonocyanidoylphenyl)-2-oxidanylidene-ethanenitrile
MOLECULAR FORMULA: C10H4N2O2
MOLECULAR WEIGHT: 184.15096
SMILES: C1=CC=C(C(=C1)C(=O)C#N)C(=O)C#N
Structure:
CAS RN: 5273-62-1
CAS Name: 5,6-dichlorocyclohex-2-ene-1,4-dione
OPENEYE Name: 5,6-dichlorocyclohex-2-ene-1,4-dione
IUPAC Name: 5,6-dichlorocyclohex-2-ene-1,4-dione
SYSTEMATIC NAME: 5,6-bis(chloranyl)cyclohex-2-ene-1,4-dione
MOLECULAR FORMULA: C6H4Cl2O2
MOLECULAR WEIGHT: 179.00076
SMILES: C1=CC(=O)C(C(C1=O)Cl)Cl
Structure:
CAS RN: 36874-53-0
CAS Name: 1-(1,3-benzothiazol-2-yl)-2-propanone
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)propan-2-one
IUPAC Name: 1-(1,3-benzothiazol-2-yl)propan-2-one
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)propan-2-one
MOLECULAR FORMULA: C10H9NOS
MOLECULAR WEIGHT: 191.24956
SMILES: CC(=O)CC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 60259-78-1
CAS Name: 5a,10a-dimethyl-9-methylene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,5,9a-triol
OPENEYE Name: 3-isopropyl-5a,10a-dimethyl-9-methylene-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,5,9a-triol
IUPAC Name: 5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,5,9a-triol
SYSTEMATIC NAME: 5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulene-3,5,9a-triol
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CC(C)C1(CCC2(C1=CC(C3(CCCC(=C)C3(C2)O)C)O)C)O
Structure:
CAS RN: 60259-79-2
CAS Name: acetic acid (3,9a-dihydroxy-5a,10a-dimethyl-9-methylene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) ester
OPENEYE Name: (3,9a-dihydroxy-3-isopropyl-5a,10a-dimethyl-9-methylene-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate
IUPAC Name: (3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate
SYSTEMATIC NAME: [5a,10a-dimethyl-9-methylidene-3,9a-bis(oxidanyl)-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl] ethanoate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CC(C)C1(CCC2(C1=CC(C3(CCCC(=C)C3(C2)O)C)OC(=O)C)C)O
Structure:
CAS RN: 668-17-7
CAS Name: (1R,2R,4S)-4-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl (1R,2R,4S)-4-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C30H35NO11
MOLECULAR WEIGHT: 585.599
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O
Structure:
CAS RN: 73851-45-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N6O4S
MOLECULAR WEIGHT: 390.41692
SMILES: C=CCSC1=NC=NC2=C1C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N
Structure:
No comments:
Post a Comment