CAS RN: 132741-82-3
CAS Name: N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
OPENEYE Name: N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
IUPAC Name: N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
SYSTEMATIC NAME: N-methyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CNC1CC2=CC3=C(C=C2C1)OCO3
Structure:
CAS RN: 132741-81-2
CAS Name: 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
OPENEYE Name: 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
IUPAC Name: 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
SYSTEMATIC NAME: 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1C(CC2=CC3=C(C=C21)OCO3)N
Structure:
CAS RN: 132712-53-9
CAS Name: 4-(2-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
OPENEYE Name: 4-(2-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
IUPAC Name: 4-(2-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
SYSTEMATIC NAME: 4-(2-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
MOLECULAR FORMULA: C16H14F2O2
MOLECULAR WEIGHT: 276.277966
SMILES: C1=CC=C(C(=C1)C(CCC(=O)O)C2=CC=C(C=C2)F)F
Structure:
CAS RN: 132695-96-6
CAS Name: (3S,4S)-3-amino-1-hydroxy-4-methyl-2-pyrrolidinone
OPENEYE Name: (3S,4S)-3-amino-1-hydroxy-4-methyl-pyrrolidin-2-one
IUPAC Name: (3S,4S)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
SYSTEMATIC NAME: (3S,4S)-3-azanyl-4-methyl-1-oxidanyl-pyrrolidin-2-one
MOLECULAR FORMULA: C5H10N2O2
MOLECULAR WEIGHT: 130.1451
SMILES: C[C@H]1CN(C(=O)[C@H]1N)O
Structure:
CAS RN: 132646-18-5
CAS Name: N-[(1R,5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl]carbamic acid [(1R,2S)-2-phenylcyclohexyl] ester
OPENEYE Name: [(1R,2S)-2-phenylcyclohexyl] N-[(1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl]carbamate
IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] N-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]carbamate
SYSTEMATIC NAME: [(1R,2S)-2-phenylcyclohexyl] N-[(1R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl]carbamate
MOLECULAR FORMULA: C23H31NO2
MOLECULAR WEIGHT: 353.49774
SMILES: CC1=CC[C@@H](C[C@H]1NC(=O)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3)C(=C)C
Structure:
CAS RN: 132633-97-7
CAS Name: (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid
OPENEYE Name: (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid
IUPAC Name: (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid
SYSTEMATIC NAME: (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid
MOLECULAR FORMULA: C4H11BrClN2O2P
MOLECULAR WEIGHT: 265.473101
SMILES: C(CCl)NP(=O)(NCCBr)O
Structure:
CAS RN: 132616-54-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H30O12
MOLECULAR WEIGHT: 546.5199
SMILES: CC(=O)C1CC2C34COC(C3C(C(=O)O2)OC(=O)C5=CC=CC=C5)(C(C(C4C1(C)CC(=O)O)O)O)C(=O)OC
Structure:
CAS RN: 132603-04-4
CAS Name: (2R,3S)-3-hydroxy-2-[[[[2-(methylthio)-7H-purin-6-yl]amino]-oxomethyl]amino]butanoic acid
OPENEYE Name: (2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
IUPAC Name: (2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
SYSTEMATIC NAME: (2R,3S)-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C11H14N6O4S
MOLECULAR WEIGHT: 326.33166
SMILES: C[C@@H]([C@H](C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O
Structure:
CAS RN: 132523-53-6
CAS Name: 2-amino-9-[(4R,5S)-4,5-bis(hydroxymethyl)-3-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(4R,5S)-4,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-3H-purin-6-one
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: C1C([C@@H]([C@H](O1)CO)CO)N2C=NC3=C2NC(=NC3=O)N
Structure:
CAS RN: 132491-63-5
CAS Name: 1-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanone
OPENEYE Name: 1-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanone
IUPAC Name: 1-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanone
MOLECULAR FORMULA: C17H18O4
MOLECULAR WEIGHT: 286.32242
SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC
Structure:
CAS RN: 132489-75-9
CAS Name: (2-fluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
OPENEYE Name: (2-fluoro-3,6-dihydroxy-4,5-diphosphonooxy-cyclohexyl) dihydrogen phosphate
IUPAC Name: (2-fluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
SYSTEMATIC NAME: [2-fluoranyl-3,6-bis(oxidanyl)-4,5-diphosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H14FO14P3
MOLECULAR WEIGHT: 422.086646
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)F)O)OP(=O)(O)O)OP(=O)(O)O)O
Structure:
CAS RN: 132488-75-6
CAS Name: (2,2-difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
OPENEYE Name: (2,2-difluoro-3,6-dihydroxy-4,5-diphosphonooxy-cyclohexyl) dihydrogen phosphate
IUPAC Name: (2,2-difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
SYSTEMATIC NAME: [2,2-bis(fluoranyl)-3,6-bis(oxidanyl)-4,5-diphosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13F2O14P3
MOLECULAR WEIGHT: 440.077109
SMILES: C1(C(C(C(C(C1OP(=O)(O)O)(F)F)O)OP(=O)(O)O)OP(=O)(O)O)O
Structure:
CAS RN: 132461-42-8
CAS Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8,9-dihydro-7H-pyrimido[2,1-f]purin-9-ol
OPENEYE Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8,9-dihydro-7H-pyrimido[2,1-f]purin-9-ol
IUPAC Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8,9-dihydro-7H-pyrimido[2,1-f]purin-9-ol
SYSTEMATIC NAME: 3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8,9-dihydro-7H-pyrimido[2,1-f]purin-9-ol
MOLECULAR FORMULA: C13H17N5O4
MOLECULAR WEIGHT: 307.30518
SMILES: C1CN2C=NC3=C(C2=NC1O)N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O
Structure:
CAS RN: 132461-40-6
CAS Name: 3,4-dimethyl-2-nitroimidazo[4,5-f]quinoline
OPENEYE Name: 3,4-dimethyl-2-nitro-imidazo[4,5-f]quinoline
IUPAC Name: 3,4-dimethyl-2-nitroimidazo[4,5-f]quinoline
SYSTEMATIC NAME: 3,4-dimethyl-2-nitro-imidazo[4,5-f]quinoline
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)[N+](=O)[O-])C
Structure:
CAS RN: 132445-64-8
CAS Name: 4-aminobenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-aminobenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-aminobenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-azanylbenzoate
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 132445-63-7
CAS Name: 3-aminobenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-aminobenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-aminobenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-azanylbenzoate
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N
Structure:
CAS RN: 132342-07-5
CAS Name: (2S,3S)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S,3S)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
IUPAC Name: (2S,3S)-8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S,3S)-8-chloranyl-2-(4-hydroxyphenyl)-3-methyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C16H13ClO5
MOLECULAR WEIGHT: 320.72442
SMILES: C[C@H]1[C@H](OC2=C(C1=O)C(=CC(=C2Cl)O)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 132338-92-2
CAS Name: 2-[(1S,2S,3R,4S)-1,2,3,4,5-pentahydroxypentyl]-4-thiazolidinecarboxylic acid
OPENEYE Name: 2-[(1S,2S,3R,4S)-1,2,3,4,5-pentahydroxypentyl]thiazolidine-4-carboxylic acid
IUPAC Name: 2-[(1S,2S,3R,4S)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 2-[(1S,2S,3R,4S)-1,2,3,4,5-pentakis(oxidanyl)pentyl]-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C9H17NO7S
MOLECULAR WEIGHT: 283.29878
SMILES: C1C(NC(S1)[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)C(=O)O
Structure:
CAS RN: 132338-12-6
CAS Name: 4-methyl-5-pyridin-4-yl-3H-oxazol-2-one
OPENEYE Name: 4-methyl-5-(4-pyridyl)-3H-oxazol-2-one
IUPAC Name: 4-methyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
SYSTEMATIC NAME: 4-methyl-5-pyridin-4-yl-3H-1,3-oxazol-2-one
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CC1=C(OC(=O)N1)C2=CC=NC=C2
Structure:
CAS RN: 132335-20-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H15N
MOLECULAR WEIGHT: 293.3612
SMILES: C1=CC=C2C(=C1)C3C(N3)C4=C2C5=CC=CC=C5C6=CC=CC=C64
Structure:
CAS RN: 132335-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4C(N4)C5=CC=CC=C35
Structure:
CAS RN: 15131-34-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4C(N4)C5=CC=CC=C35
Structure:
CAS RN: 132282-96-3
CAS Name: 3,4'-dihydroxy-3-(hydroxymethyl)-5'-methyl-6-spiro[3a,4,5,6,7,7a-hexahydrobenzofuran-2,2'-oxane]carboxylic acid
OPENEYE Name: 3,4'-dihydroxy-3-(hydroxymethyl)-5'-methyl-spiro[3a,4,5,6,7,7a-hexahydrobenzofuran-2,2'-tetrahydropyran]-6-carboxylic acid
IUPAC Name: 3,4'-dihydroxy-3-(hydroxymethyl)-5'-methylspiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylic acid
SYSTEMATIC NAME: 3-(hydroxymethyl)-5'-methyl-3,4'-bis(oxidanyl)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylic acid
MOLECULAR FORMULA: C15H24O7
MOLECULAR WEIGHT: 316.34686
SMILES: CC1COC2(CC1O)C(C3CCC(CC3O2)C(=O)O)(CO)O
Structure:
CAS RN: 132261-26-8
CAS Name: 4-(1,2-diaminoethyl)benzene-1,2-diol
OPENEYE Name: 4-(1,2-diaminoethyl)benzene-1,2-diol
IUPAC Name: 4-(1,2-diaminoethyl)benzene-1,2-diol
SYSTEMATIC NAME: 4-[1,2-bis(azanyl)ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: C1=CC(=C(C=C1C(CN)N)O)O
Structure:
CAS RN: 132196-66-8
CAS Name: 3-ethynylperylene
OPENEYE Name: 3-ethynylperylene
IUPAC Name: 3-ethynylperylene
SYSTEMATIC NAME: 3-ethynylperylene
MOLECULAR FORMULA: C22H12
MOLECULAR WEIGHT: 276.33068
SMILES: C#CC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5
Structure:
CAS RN: 132194-83-3
CAS Name: 1,3-dichloro-8-iodo-6-methyldibenzofuran
OPENEYE Name: 1,3-dichloro-8-iodo-6-methyl-dibenzofuran
IUPAC Name: 1,3-dichloro-8-iodo-6-methyldibenzofuran
SYSTEMATIC NAME: 1,3-bis(chloranyl)-8-iodanyl-6-methyl-dibenzofuran
MOLECULAR FORMULA: C13H7Cl2IO
MOLECULAR WEIGHT: 377.00455
SMILES: CC1=C2C(=CC(=C1)I)C3=C(C=C(C=C3O2)Cl)Cl
Structure:
CAS RN: 132194-67-3
CAS Name: 2-[2-(4-fluorophenoxy)ethyl]phenol
OPENEYE Name: 2-[2-(4-fluorophenoxy)ethyl]phenol
IUPAC Name: 2-[2-(4-fluorophenoxy)ethyl]phenol
SYSTEMATIC NAME: 2-[2-(4-fluoranylphenoxy)ethyl]phenol
MOLECULAR FORMULA: C14H13FO2
MOLECULAR WEIGHT: 232.250223
SMILES: C1=CC=C(C(=C1)CCOC2=CC=C(C=C2)F)O
Structure:
CAS RN: 132151-85-0
CAS Name: N'-(3-fluoropropyl)butane-1,4-diamine
OPENEYE Name: N'-(3-fluoropropyl)butane-1,4-diamine
IUPAC Name: N'-(3-fluoropropyl)butane-1,4-diamine
SYSTEMATIC NAME: N'-(3-fluoranylpropyl)butane-1,4-diamine
MOLECULAR FORMULA: C7H17FN2
MOLECULAR WEIGHT: 148.221683
SMILES: C(CCNCCCF)CN
Structure:
CAS RN: 132147-69-4
CAS Name: (2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chroman-4-one
IUPAC Name: (2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S,3S)-2-(4-hydroxyphenyl)-3-methyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: C[C@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Structure:
CAS RN: 132041-83-9
CAS Name: 3-ethyl-8-methyl-4-oxa-8-azaspiro[4.5]decan-2-one
OPENEYE Name: 3-ethyl-8-methyl-4-oxa-8-azaspiro[4.5]decan-2-one
IUPAC Name: 3-ethyl-8-methyl-4-oxa-8-azaspiro[4.5]decan-2-one
SYSTEMATIC NAME: 3-ethyl-8-methyl-4-oxa-8-azaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CCC1C(=O)CC2(O1)CCN(CC2)C
Structure:
CAS RN: 132033-91-1
CAS Name: 5-(4-piperidinyl)-3-isoxazolone
OPENEYE Name: 5-(4-piperidyl)isoxazol-3-one
IUPAC Name: 5-piperidin-4-yl-1,2-oxazol-3-one
SYSTEMATIC NAME: 5-piperidin-4-yl-1,2-oxazol-3-one
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: C1CNCCC1C2=CC(=O)NO2
Structure:
CAS RN: 132018-32-7
CAS Name: 2-(4-aminophenyl)-6-hydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(4-aminophenyl)-6-hydroxy-chromen-4-one
IUPAC Name: 2-(4-aminophenyl)-6-hydroxychromen-4-one
SYSTEMATIC NAME: 2-(4-aminophenyl)-6-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)N
Structure:
CAS RN: 132016-39-8
CAS Name: trimethyl-[(2-methyl-3-oxo-5-isoxazolidinyl)methyl]ammonium iodide
OPENEYE Name: trimethyl-[(2-methyl-3-oxo-isoxazolidin-5-yl)methyl]ammonium iodide
IUPAC Name: trimethyl-[(2-methyl-3-oxo-1,2-oxazolidin-5-yl)methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(2-methyl-3-oxidanylidene-1,2-oxazolidin-5-yl)methyl]azanium iodide
MOLECULAR FORMULA: C8H17IN2O2
MOLECULAR WEIGHT: 300.13725
SMILES: CN1C(=O)CC(O1)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 224624-80-0
CAS Name: (2R)-1-[6-[(2R)-2-carboxy-1-pyrrolidinyl]-1,6-dioxohexyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxo-hexanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C16H24N2O6
MOLECULAR WEIGHT: 340.37156
SMILES: C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O
Structure:
CAS RN: 132015-04-4
CAS Name: (5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6R)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-phenyl-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(O2)C3=CC=CC=C3)C(=O)O)O
Structure:
CAS RN: 132004-29-6
CAS Name: 2-[4-(2-hydroxyethoxy)phenyl]acetic acid
OPENEYE Name: 2-[4-(2-hydroxyethoxy)phenyl]acetic acid
IUPAC Name: 2-[4-(2-hydroxyethoxy)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-hydroxyethyloxy)phenyl]ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: C1=CC(=CC=C1CC(=O)O)OCCO
Structure:
CAS RN: 131956-44-0
CAS Name: (2R,3R)-5-(methylamino)-3-(4-phenyl-1-piperidinyl)-1,2,3,4-tetrahydronaphthalen-2-ol
OPENEYE Name: (2R,3R)-5-(methylamino)-3-(4-phenyl-1-piperidyl)tetralin-2-ol
IUPAC Name: (2R,3R)-5-(methylamino)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: (2R,3R)-5-(methylamino)-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 335.471254
SMILES: [11CH3]NC1=CC=CC2=C1C[C@H]([C@@H](C2)O)N3CCC(CC3)C4=CC=CC=C4
Structure:
CAS RN: 131956-34-8
CAS Name: 3,4,5-trichloro-2-(2,3-dichloro-1-pyrrolyl)phenol
OPENEYE Name: 3,4,5-trichloro-2-(2,3-dichloropyrrol-1-yl)phenol
IUPAC Name: 3,4,5-trichloro-2-(2,3-dichloropyrrol-1-yl)phenol
SYSTEMATIC NAME: 2-[2,3-bis(chloranyl)pyrrol-1-yl]-3,4,5-tris(chloranyl)phenol
MOLECULAR FORMULA: C10H4Cl5NO
MOLECULAR WEIGHT: 331.40986
SMILES: C1=CN(C(=C1Cl)Cl)C2=C(C(=C(C=C2O)Cl)Cl)Cl
Structure:
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