CAS RN: 37011-64-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10O4
MOLECULAR WEIGHT: 290.2696
SMILES: C1=CC=C(C=C1)C2=C3C4=C(C=C2)C(=O)OC=C4C=C(C3=O)O
Structure:
CAS RN: 66085-76-5
CAS Name: 1,2,3,4,4a,10b-hexahydrobenzo[c][1]benzopyran-6-one
OPENEYE Name: 1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one
IUPAC Name: 1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one
SYSTEMATIC NAME: 1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: C1CCC2C(C1)C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 24240-67-3
CAS Name: 1-(3-hydroxy-1-oxo-3,3-diphenylpropyl)-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 1-(3-hydroxy-3,3-diphenyl-propanoyl)tetralin-2-one
IUPAC Name: 1-(3-hydroxy-3,3-diphenylpropanoyl)-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 1-(3-oxidanyl-3,3-diphenyl-propanoyl)-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C25H22O3
MOLECULAR WEIGHT: 370.44038
SMILES: C1CC(=O)C(C2=CC=CC=C21)C(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 5768-68-3
CAS Name: 1,3,6-triphenylhexane-1,5-dione
OPENEYE Name: 1,3,6-triphenylhexane-1,5-dione
IUPAC Name: 1,3,6-triphenylhexane-1,5-dione
SYSTEMATIC NAME: 1,3,6-triphenylhexane-1,5-dione
MOLECULAR FORMULA: C24H22O2
MOLECULAR WEIGHT: 342.43028
SMILES: C1=CC=C(C=C1)CC(=O)CC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 2294-90-8
CAS Name: 2,4-diphenyl-3-butenoic acid
OPENEYE Name: 2,4-diphenylbut-3-enoic acid
IUPAC Name: 2,4-diphenylbut-3-enoic acid
SYSTEMATIC NAME: 2,4-diphenylbut-3-enoic acid
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 79253-79-5
CAS Name: spiro[2,1$l^{6}-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
OPENEYE Name: spiro[2,1$l^{6}-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
IUPAC Name: spiro[2,1$l^{6}-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
SYSTEMATIC NAME: spiro[2,1$l^{6}-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
MOLECULAR FORMULA: C12H14O3S
MOLECULAR WEIGHT: 238.30276
SMILES: C1CCC2(CC1)C3=CC=CC=C3S(=O)(=O)O2
Structure:
CAS RN: 6667-11-4
CAS Name: 5-phenyl-3-(5-phenyl-3-isoxazolyl)isoxazole
OPENEYE Name: 5-phenyl-3-(5-phenylisoxazol-3-yl)isoxazole
IUPAC Name: 5-phenyl-3-(5-phenyl-1,2-oxazol-3-yl)-1,2-oxazole
SYSTEMATIC NAME: 5-phenyl-3-(5-phenyl-1,2-oxazol-3-yl)-1,2-oxazole
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C3=NOC(=C3)C4=CC=CC=C4
Structure:
CAS RN: 34315-37-2
CAS Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]phenol
OPENEYE Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]phenol
IUPAC Name: 4-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]ethyl]phenol
SYSTEMATIC NAME: 4-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]ethyl]phenol
MOLECULAR FORMULA: C16H16BrNO3
MOLECULAR WEIGHT: 350.20714
SMILES: C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br
Structure:
CAS RN: 35202-54-1
CAS Name: 3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienecarbonitrile
OPENEYE Name: 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
IUPAC Name: 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
SYSTEMATIC NAME: 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: COC1=C(C=C2C(CC2=C1)C#N)OC
Structure:
CAS RN: 35943-35-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16N6O4
MOLECULAR WEIGHT: 320.30394
SMILES: CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N
Structure:
CAS RN: 20811-60-3
CAS Name: 3-(4-methoxyphenoxy)propanoic acid
OPENEYE Name: 3-(4-methoxyphenoxy)propanoic acid
IUPAC Name: 3-(4-methoxyphenoxy)propanoic acid
SYSTEMATIC NAME: 3-(4-methoxyphenoxy)propanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC=C(C=C1)OCCC(=O)O
Structure:
CAS RN: 31745-32-1
CAS Name: 2-amino-5-(2-naphthalenylmethyl)-4-oxo-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 2-amino-5-(2-naphthylmethyl)-4-oxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 2-amino-5-(naphthalen-2-ylmethyl)-4-oxo-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 2-azanyl-5-(naphthalen-2-ylmethyl)-4-oxidanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: C1=CC=C2C=C(C=CC2=C1)CC3=C(NC(=NC3=O)N)C=O
Structure:
CAS RN: 1532-72-5
CAS Name: 2-oxidoisoquinolin-2-ium
OPENEYE Name: 2-oxidoisoquinolin-2-ium
IUPAC Name: 2-oxidoisoquinolin-2-ium
SYSTEMATIC NAME: 2-oxidanidylisoquinolin-2-ium
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C2C=[N+](C=CC2=C1)[O-]
Structure:
CAS RN: 14635-33-7
CAS Name: 1-anilino-3-[4-(3-anilino-2-hydroxypropyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-anilino-3-[4-(3-anilino-2-hydroxy-propyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-anilino-3-[4-(3-anilino-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-[4-(2-oxidanyl-3-phenylazanyl-propyl)piperazin-1-yl]-3-phenylazanyl-propan-2-ol
MOLECULAR FORMULA: C22H32N4O2
MOLECULAR WEIGHT: 384.51508
SMILES: C1CN(CCN1CC(CNC2=CC=CC=C2)O)CC(CNC3=CC=CC=C3)O
Structure:
CAS RN: 146356-76-5
CAS Name: 1-[4-[2-hydroxy-3-(4-methylanilino)propyl]-1-piperazinyl]-3-(4-methylanilino)-2-propanol
OPENEYE Name: 1-[4-[2-hydroxy-3-(4-methylanilino)propyl]piperazin-1-yl]-3-(4-methylanilino)propan-2-ol
IUPAC Name: 1-[4-[2-hydroxy-3-(4-methylanilino)propyl]piperazin-1-yl]-3-(4-methylanilino)propan-2-ol
SYSTEMATIC NAME: 1-[(4-methylphenyl)amino]-3-[4-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C24H36N4O2
MOLECULAR WEIGHT: 412.56824
SMILES: CC1=CC=C(C=C1)NCC(CN2CCN(CC2)CC(CNC3=CC=C(C=C3)C)O)O
Structure:
CAS RN: 55648-29-8
CAS Name: 1-anilino-3-(4-morpholinyl)-2-propanol
OPENEYE Name: 1-anilino-3-morpholino-propan-2-ol
IUPAC Name: 1-anilino-3-morpholin-4-ylpropan-2-ol
SYSTEMATIC NAME: 1-morpholin-4-yl-3-phenylazanyl-propan-2-ol
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: C1COCCN1CC(CNC2=CC=CC=C2)O
Structure:
CAS RN: 24858-54-6
CAS Name: 1,4-dihydronaphthalene-1,4-dicarboxylic acid
OPENEYE Name: 1,4-dihydronaphthalene-1,4-dicarboxylic acid
IUPAC Name: 1,4-dihydronaphthalene-1,4-dicarboxylic acid
SYSTEMATIC NAME: 1,4-dihydronaphthalene-1,4-dicarboxylic acid
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: C1=CC=C2C(C=CC(C2=C1)C(=O)O)C(=O)O
Structure:
CAS RN: 93739-18-5
CAS Name: 2-(2-phenylcyclohexyl)acetic acid
OPENEYE Name: 2-(2-phenylcyclohexyl)acetic acid
IUPAC Name: 2-(2-phenylcyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(2-phenylcyclohexyl)ethanoic acid
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C1CCC(C(C1)CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 52092-27-0
CAS Name: 2-(2-phenylcyclohexyl)acetic acid
OPENEYE Name: 2-(2-phenylcyclohexyl)acetic acid
IUPAC Name: 2-(2-phenylcyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(2-phenylcyclohexyl)ethanoic acid
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C1CCC(C(C1)CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 65226-97-3
CAS Name: 2-(2-phenylcyclohexyl)acetic acid
OPENEYE Name: 2-(2-phenylcyclohexyl)acetic acid
IUPAC Name: 2-(2-phenylcyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(2-phenylcyclohexyl)ethanoic acid
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C1CCC(C(C1)CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 30589-45-8
CAS Name: 3-phenyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
OPENEYE Name: 3-phenyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
IUPAC Name: 3-phenyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
SYSTEMATIC NAME: 3-phenyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
MOLECULAR FORMULA: C21H17N3
MOLECULAR WEIGHT: 311.37978
SMILES: C1C(=NNC2N1C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5
Structure:
CAS RN: 517-82-8
CAS Name: 1-but-3-yn-2-yloxy-3-chloro-2-propanol
OPENEYE Name: 1-chloro-3-(1-methylprop-2-ynoxy)propan-2-ol
IUPAC Name: 1-but-3-yn-2-yloxy-3-chloropropan-2-ol
SYSTEMATIC NAME: 1-but-3-yn-2-yloxy-3-chloranyl-propan-2-ol
MOLECULAR FORMULA: C7H11ClO2
MOLECULAR WEIGHT: 162.61404
SMILES: CC(C#C)OCC(CCl)O
Structure:
CAS RN: 42997-25-1
CAS Name: 2-(but-2-ynoxymethyl)oxirane
OPENEYE Name: 2-(but-2-ynoxymethyl)oxirane
IUPAC Name: 2-(but-2-ynoxymethyl)oxirane
SYSTEMATIC NAME: 2-(but-2-ynoxymethyl)oxirane
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CC#CCOCC1CO1
Structure:
CAS RN: 518-26-3
CAS Name: 2-(hex-2-ynoxymethyl)oxirane
OPENEYE Name: 2-(hex-2-ynoxymethyl)oxirane
IUPAC Name: 2-(hex-2-ynoxymethyl)oxirane
SYSTEMATIC NAME: 2-(hex-2-ynoxymethyl)oxirane
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CCCC#CCOCC1CO1
Structure:
CAS RN: 30379-55-6
CAS Name: 2-phenylmethoxyacetic acid
OPENEYE Name: 2-benzyloxyacetic acid
IUPAC Name: 2-phenylmethoxyacetic acid
SYSTEMATIC NAME: 2-phenylmethoxyethanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1=CC=C(C=C1)COCC(=O)O
Structure:
CAS RN: 3063-65-8
CAS Name: 2-phenylmethoxyacetic acid
OPENEYE Name: 2-benzyloxyacetic acid
IUPAC Name: 2-phenylmethoxyacetic acid
SYSTEMATIC NAME: 2-phenylmethoxyethanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1=CC=C(C=C1)COCC(=O)O
Structure:
CAS RN: 32362-88-2
CAS Name: 2-phenylmethoxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-benzyloxyacetate
IUPAC Name: ethyl 2-phenylmethoxyacetate
SYSTEMATIC NAME: ethyl 2-phenylmethoxyethanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC(=O)COCC1=CC=CC=C1
Structure:
CAS RN: 21353-16-2
CAS Name: 3-methyl-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butanoic acid
OPENEYE Name: 2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoic acid
IUPAC Name: 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid
SYSTEMATIC NAME: 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 21285-27-8
CAS Name: 3-methyl-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butanoic acid
OPENEYE Name: 2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoic acid
IUPAC Name: 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid
SYSTEMATIC NAME: 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 7552-07-0
CAS Name: 1,2,4-thiadiazol-5-amine
OPENEYE Name: 1,2,4-thiadiazol-5-amine
IUPAC Name: 1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C2H3N3S
MOLECULAR WEIGHT: 101.13032
SMILES: C1=NSC(=N1)N
Structure:
CAS RN: 43201-13-4
CAS Name: 1,2,4-thiadiazol-5-amine
OPENEYE Name: 1,2,4-thiadiazol-5-amine
IUPAC Name: 1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C2H3N3S
MOLECULAR WEIGHT: 101.13032
SMILES: C1=NSC(=N1)N
Structure:
CAS RN: 52355-42-7
CAS Name: 1-(3,5-dihydroxy-2-methoxy-4-oxanyl)-3-methylurea
OPENEYE Name: 1-(3,5-dihydroxy-2-methoxy-tetrahydropyran-4-yl)-3-methyl-urea
IUPAC Name: 1-(3,5-dihydroxy-2-methoxyoxan-4-yl)-3-methylurea
SYSTEMATIC NAME: 1-[2-methoxy-3,5-bis(oxidanyl)oxan-4-yl]-3-methyl-urea
MOLECULAR FORMULA: C8H16N2O5
MOLECULAR WEIGHT: 220.22304
SMILES: CNC(=O)NC1C(COC(C1O)OC)O
Structure:
CAS RN: 40912-86-5
CAS Name: 1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chlorophenoxy)ethanone
OPENEYE Name: 1-(5-bromo-2,3-dihydrobenzothiophen-3-yl)-2-(4-chlorophenoxy)ethanone
IUPAC Name: 1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chlorophenoxy)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chloranylphenoxy)ethanone
MOLECULAR FORMULA: C16H12BrClO2S
MOLECULAR WEIGHT: 383.68728
SMILES: C1C(C2=C(S1)C=CC(=C2)Br)C(=O)COC3=CC=C(C=C3)Cl
Structure:
CAS RN: 81765-97-1
CAS Name: 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)Cl
Structure:
CAS RN: 82985-31-7
CAS Name: 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)Cl
Structure:
CAS RN: 4651-94-9
CAS Name: 2-amino-4,5-dimethyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4,5-dimethyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-4,5-dimethylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4,5-dimethyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C7H8N2S
MOLECULAR WEIGHT: 152.21682
SMILES: CC1=C(SC(=C1C#N)N)C
Structure:
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