CAS RN: 81397-66-2
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-acetyloxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-acetoxy-4,4-dimethyl-oct-1-enyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-acetyloxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-acetyloxy-4,4-dimethyl-oct-1-enyl]-3-methyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C25H40O5
MOLECULAR WEIGHT: 420.5821
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)C)OC(=O)C
Structure:
CAS RN: 81247-23-6
CAS Name: (2E,4E,6E,8E,10E,12E)-tetracosa-2,4,6,8,10,12-hexaenoic acid
OPENEYE Name: (2E,4E,6E,8E,10E,12E)-tetracosa-2,4,6,8,10,12-hexaenoic acid
IUPAC Name: (2E,4E,6E,8E,10E,12E)-tetracosa-2,4,6,8,10,12-hexaenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E,10E,12E)-tetracosa-2,4,6,8,10,12-hexaenoic acid
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
Structure:
CAS RN: 81112-43-8
CAS Name: 2-bromoacetic acid [(2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 2-bromoacetate
IUPAC Name: [(2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 2-bromoacetate
SYSTEMATIC NAME: [(2Z,4E,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 2-bromanylethanoate
MOLECULAR FORMULA: C22H31BrO2
MOLECULAR WEIGHT: 407.38434
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C/C(=C\COC(=O)CBr)/C)\C
Structure:
CAS RN: 81112-41-6
CAS Name: 2-bromoacetic acid [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl] ester
OPENEYE Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] 2-bromoacetate
IUPAC Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] 2-bromoacetate
SYSTEMATIC NAME: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] 2-bromanylethanoate
MOLECULAR FORMULA: C17H25BrO2
MOLECULAR WEIGHT: 341.2832
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/COC(=O)CBr)/C
Structure:
CAS RN: 81112-42-7
CAS Name: 2-bromoacetic acid [(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl] ester
OPENEYE Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl] 2-bromoacetate
IUPAC Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-bromoacetate
SYSTEMATIC NAME: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C15H23BrO2
MOLECULAR WEIGHT: 315.24592
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)CBr
Structure:
CAS RN: 80995-98-8
CAS Name: (E)-9-octadecenoic acid [2-[(Z)-1-oxooctadec-9-enoxy]-3-tetradecylsulfinylpropyl] ester
OPENEYE Name: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinyl-propyl] (E)-octadec-9-enoate
IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinylpropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-[(Z)-octadec-9-enoyl]oxy-3-tetradecylsulfinyl-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C53H100O5S
MOLECULAR WEIGHT: 849.4231
SMILES: CCCCCCCCCCCCCCS(=O)CC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 80936-07-8
CAS Name: (E)-16-iodo-9-hexadecenoic acid
OPENEYE Name: (E)-16-iodohexadec-9-enoic acid
IUPAC Name: (E)-16-iodohexadec-9-enoic acid
SYSTEMATIC NAME: (E)-16-iodanylhexadec-9-enoic acid
MOLECULAR FORMULA: C16H29IO2
MOLECULAR WEIGHT: 380.30473
SMILES: C(CCC/C=C/CCCCCCI)CCCC(=O)O
Structure:
CAS RN: 80832-44-6
CAS Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
OPENEYE Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
SYSTEMATIC NAME: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
MOLECULAR FORMULA: C39H54O6
MOLECULAR WEIGHT: 618.84246
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)C(=O)O
Structure:
CAS RN: 80749-89-9
CAS Name: (Z)-9-octadecenoic acid [3-[(Z)-1-oxooctadec-9-enoxy]-2-[1-oxo-4-(1-pyrenyl)butoxy]propyl] ester
OPENEYE Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate
IUPAC Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [3-[(Z)-octadec-9-enoyl]oxy-2-(4-pyren-1-ylbutanoyloxy)propyl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C59H86O6
MOLECULAR WEIGHT: 891.31054
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCC1=C2C3=C(C=C1)C=CC4=C3C(=CC=C4)C=C2)COC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 80702-92-7
CAS Name: (Z)-2-butenedioic acid; 1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-pyrrolidinone
OPENEYE Name: maleic acid; 1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]pyrrolidin-2-one
IUPAC Name: (Z)-but-2-enedioic acid; 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrrolidin-2-one
MOLECULAR FORMULA: C15H23N3O6
MOLECULAR WEIGHT: 341.35962
SMILES: CN1CCN(CC1)C(=O)CN2CCCC2=O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 80646-53-3
CAS Name: 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)-2-oxolanyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-2-bromovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5S)-4-azanyl-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H14BrN3O4
MOLECULAR WEIGHT: 332.15056
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)N
Structure:
CAS RN: 80589-24-8
CAS Name: (4E)-4-(ethoxymethylidene)-2-[(E)-prop-1-enyl]-5-oxazolone
OPENEYE Name: (4E)-4-(ethoxymethylene)-2-[(E)-prop-1-enyl]oxazol-5-one
IUPAC Name: (4E)-4-(ethoxymethylidene)-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-(ethoxymethylidene)-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: CCO/C=C/1\C(=O)OC(=N1)/C=C/C
Structure:
CAS RN: 80525-49-1
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R,2E,4S)-1,4,5-trimethylhexa-2,5-dienyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H44O
MOLECULAR WEIGHT: 396.64836
SMILES: C[C@H](/C=C/[C@H](C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 80525-47-9
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methyl-6-methyleneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-1,4-dimethyl-5-methylene-hept-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methyl-6-methylideneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methyl-6-methylidene-oct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H46O
MOLECULAR WEIGHT: 410.67494
SMILES: CCC(=C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 80463-20-3
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3,4-triol
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3,4-triol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CC(C(C(C)(C)O)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 80463-19-0
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-6-methyl-6-oxidanyl-hept-4-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H42O2
MOLECULAR WEIGHT: 398.62118
SMILES: C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 80462-88-0
CAS Name: 2-[[7-[(E)-[7-[bis(carboxymethyl)amino]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]azo]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[7-[(E)-[7-[bis(carboxymethyl)amino]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]azo]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[7-[(E)-[7-[bis(carboxymethyl)amino]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]diazenyl]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[7-[(E)-[7-[bis(2-hydroxy-2-oxoethyl)amino]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]diazenyl]-7-bicyclo[2.2.1]hepta-1,3,5-trienyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C22H20N4O8
MOLECULAR WEIGHT: 468.4162
SMILES: C1=CC2=CC=C1C2(/N=N/C3(C4=CC=C3C=C4)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 80317-98-2
CAS Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: C/C=C/C1=CC(=C(C=C1)OC)OC.C/C=C/C1=CC(=C(C=C1OC)OC)OC
Structure:
CAS RN: 80311-20-2
CAS Name: N-tert-butyl-1-(4-dodecoxyphenyl)methanimine oxide
OPENEYE Name: N-tert-butyl-1-(4-dodecoxyphenyl)methanimine oxide
IUPAC Name: N-tert-butyl-1-(4-dodecoxyphenyl)methanimine oxide
SYSTEMATIC NAME: N-tert-butyl-1-(4-dodecoxyphenyl)methanimine oxide
MOLECULAR FORMULA: C23H39NO2
MOLECULAR WEIGHT: 361.56126
SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)/C=[N+](/C(C)(C)C)\[O-]
Structure:
CAS RN: 80251-33-8
CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester; methanesulfonic acid
OPENEYE Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 4-guanidinobenzoate; methanesulfonic acid
IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonic acid
SYSTEMATIC NAME: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid
MOLECULAR FORMULA: C19H25N5O8S2
MOLECULAR WEIGHT: 515.5605
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1/C=C/C(=N)N)OC(=O)C2=CC=C(C=C2)N=C(N)N
Structure:
CAS RN: 34136-53-3
CAS Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)-2-propenamide
OPENEYE Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
IUPAC Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-azanylbutyl)-3-(4-hydroxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1=CC(=CC=C1/C=C/C(=O)NCCCCN)O
Structure:
CAS RN: 80244-08-2
CAS Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)-2-propenamide hydrochloride
OPENEYE Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide hydrochloride
IUPAC Name: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide hydrochloride
SYSTEMATIC NAME: (E)-N-(4-azanylbutyl)-3-(4-hydroxyphenyl)prop-2-enamide hydrochloride
MOLECULAR FORMULA: C13H19ClN2O2
MOLECULAR WEIGHT: 270.75516
SMILES: C1=CC(=CC=C1/C=C/C(=O)NCCCCN)O.Cl
Structure:
CAS RN: 80173-35-9
CAS Name: (E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]-2-propenenitrile
OPENEYE Name: (E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enenitrile
IUPAC Name: (E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]prop-2-enenitrile
MOLECULAR FORMULA: C12H13N3O5
MOLECULAR WEIGHT: 279.24872
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C#N)CO)O
Structure:
CAS RN: 80154-52-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H40O6
MOLECULAR WEIGHT: 496.635
SMILES: CCC/C=C/C=C/C=C/C(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
Structure:
CAS RN: 80115-94-2
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxopropyl]thio]-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C27H42N2O7S
MOLECULAR WEIGHT: 538.69658
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)C
Structure:
CAS RN: 80110-77-6
CAS Name: (E)-10-hydroxy-2-octadecenoic acid
OPENEYE Name: (E)-10-hydroxyoctadec-2-enoic acid
IUPAC Name: (E)-10-hydroxyoctadec-2-enoic acid
SYSTEMATIC NAME: (E)-10-oxidanyloctadec-2-enoic acid
MOLECULAR FORMULA: C18H34O3
MOLECULAR WEIGHT: 298.46076
SMILES: CCCCCCCCC(CCCCCC/C=C/C(=O)O)O
Structure:
CAS RN: 80106-53-2
CAS Name: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)acetamide
OPENEYE Name: (2E)-2-norbornan-2-ylideneacetamide
IUPAC Name: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)acetamide
SYSTEMATIC NAME: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)ethanamide
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C1CC\2CC1C/C2=C\C(=O)N
Structure:
CAS RN: 80106-52-1
CAS Name: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)ethanamine
OPENEYE Name: (2E)-2-norbornan-2-ylideneethanamine
IUPAC Name: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)ethanamine
SYSTEMATIC NAME: (2E)-2-(3-bicyclo[2.2.1]heptanylidene)ethanamine
MOLECULAR FORMULA: C9H15N
MOLECULAR WEIGHT: 137.2221
SMILES: C1CC\2CC1C/C2=C\CN
Structure:
CAS RN: 80049-88-3
CAS Name: 3-[(E)-2-ethylhex-2-enyl]oxolane-2,5-dione
OPENEYE Name: 3-[(E)-2-ethylhex-2-enyl]tetrahydrofuran-2,5-dione
IUPAC Name: 3-[(E)-2-ethylhex-2-enyl]oxolane-2,5-dione
SYSTEMATIC NAME: 3-[(E)-2-ethylhex-2-enyl]oxolane-2,5-dione
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CCC/C=C(\CC)/CC1CC(=O)OC1=O
Structure:
CAS RN: 80003-51-6
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-6,6-dimethylnon-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-6,6-dimethyl-non-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-6,6-dimethylnon-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-6,6-dimethyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H38O5
MOLECULAR WEIGHT: 394.54482
SMILES: CCCC(C)(C)CC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 80003-50-5
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-5,5-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC(C)(C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 79965-10-9
CAS Name: (2Z,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C27H35NO2
MOLECULAR WEIGHT: 405.5723
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)NC2=CC=C(C=C2)OC)\C)/C
Structure:
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