CAS RN: 113949-25-0
CAS Name: (E)-4-(2,3-dimethoxyphenyl)-2-methyl-3-buten-2-ol
OPENEYE Name: (E)-4-(2,3-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
IUPAC Name: (E)-4-(2,3-dimethoxyphenyl)-2-methylbut-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(2,3-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)(/C=C/C1=C(C(=CC=C1)OC)OC)O
Structure:
CAS RN: 113849-16-4
CAS Name: (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
OPENEYE Name: (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoic acid
IUPAC Name: (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
SYSTEMATIC NAME: (5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethyl-nona-5,8-dienoic acid
MOLECULAR FORMULA: C17H21ClO2
MOLECULAR WEIGHT: 292.80044
SMILES: CC(C)(/C=C\CCCC(=O)O)/C=C\C1=CC=C(C=C1)Cl
Structure:
CAS RN: 113689-36-4
CAS Name: 2-methyl-N-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinyl]propanamide
OPENEYE Name: 2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide
IUPAC Name: 2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide
SYSTEMATIC NAME: 2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CC(C)C(=O)NC1CCCN1C(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 113665-89-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H72O14
MOLECULAR WEIGHT: 873.07688
SMILES: CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 113527-64-3
CAS Name: (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,
OPENEYE Name: (3S,10R,13R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-3-[[(3S,10R,13R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,1
IUPAC Name: (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,11,
SYSTEMATIC NAME: (3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-3-[[(3S,10R,13R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,7,8,9,1
MOLECULAR FORMULA: C58H94O
MOLECULAR WEIGHT: 807.36636
SMILES: CC[C@@H](C(C)C)/C=C/[C@H]([C@@H]1[C@@]2(C(C3C([C@@]4(C(=CC3)C[C@H](CC4)O[C@@H]5CC6=CCC7C([C@]6(CC5)C)CC[C@]8(C7CC[C@@H]8[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)CC2)CC1)C)C
Structure:
CAS RN: 113281-90-6
CAS Name: 2,6-difluoro-N-[oxo-[4-[(E)-2-phenylethenyl]anilino]methyl]benzamide
OPENEYE Name: 2,6-difluoro-N-[[4-[(E)-styryl]phenyl]carbamoyl]benzamide
IUPAC Name: 2,6-difluoro-N-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzamide
MOLECULAR FORMULA: C22H16F2N2O2
MOLECULAR WEIGHT: 378.371446
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F
Structure:
CAS RN: 113275-14-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N4O12
MOLECULAR WEIGHT: 836.9668
SMILES: CC1CC/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)/C=C/CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)O)C)OC
Structure:
CAS RN: 113145-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: C/C=C/1\CN2COC3(C2CC1C3C(=O)OC)C4=C5C=C(C(=CC5=NC=C4)OC)OC
Structure:
CAS RN: 112945-21-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H62O10
MOLECULAR WEIGHT: 714.92498
SMILES: CCCCC(=C)[C@@H](/C(=C/C=C/[C@@H]1[C@H]2CC[C@@H](O2)CC(=O)C[C@@H](C(=O)C[C@@H]([C@@H](/C(=C/C(=C)[C@H]([C@H]([C@H]3C[C@H]([C@@H](O3)CC(=O)O1)C)O)O)/C)C)O)C)/C)O
Structure:
CAS RN: 112899-60-2
CAS Name: (E)-2-methyl-2-butenoic acid [(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3aR,4S,7R,9S,10Z,11aR)-7-(dioxidanyl)-10-methyl-3,6-dimethylidene-9-oxidanyl-2-oxidanylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC(=C)[C@@H](C[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)OO
Structure:
CAS RN: 112693-24-0
CAS Name: 1-[2-[(7Z)-1-azacycloundec-7-en-2-yl]ethyl]-9H-pyrido[3,4-b]indole
OPENEYE Name: 1-[2-[(7Z)-1-azacycloundec-7-en-2-yl]ethyl]-9H-pyrido[3,4-b]indole
IUPAC Name: 1-[2-[(7Z)-1-azacycloundec-7-en-2-yl]ethyl]-9H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 1-[2-[(7Z)-1-azacycloundec-7-en-2-yl]ethyl]-9H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C23H29N3
MOLECULAR WEIGHT: 347.49646
SMILES: C1CCC(NCCC/C=C\C1)CCC2=NC=CC3=C2NC4=CC=CC=C34
Structure:
CAS RN: 112693-21-7
CAS Name: (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-4-yl]-1-oxoethoxy]-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-2-oxanyl]methoxy]-2-oxo
OPENEYE Name: methyl (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydrop
IUPAC Name: methyl (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-2-o
SYSTEMATIC NAME: methyl (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxycarbonyl-4H-pyran-4-yl]ethanoyloxy]-6-[2-(4-hydroxyphenyl)ethoxy]-3,4-bis(oxidanyl)oxan-2-yl]me
MOLECULAR FORMULA: C48H64O27
MOLECULAR WEIGHT: 1073.00556
SMILES: C/C=C\1/[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)OC(=O)CC\4C(=CO[C@H](/C4=C/C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)OC)O)O)C(=O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 112663-92-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H46N4O
MOLECULAR WEIGHT: 550.77664
SMILES: C1CCNC2C3(CC/C=C\C1)CN4CCCC/C=C/CCC25C(O5)C(C3CC4)C6=NC=CC7=C6NC8=CC=CC=C78
Structure:
CAS RN: 99838-20-7
CAS Name: (E)-2-butenedioic acid; 1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
OPENEYE Name: fumaric acid; 1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
IUPAC Name: (E)-but-2-enedioic acid; 1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1,3,6-trimethyl-4-phenyl-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: CC1CN(C(C=C1C2=CC=CC=C2)C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 99640-12-7
CAS Name: (E)-10-oxo-8-octadecenoic acid
OPENEYE Name: (E)-10-oxooctadec-8-enoic acid
IUPAC Name: (E)-10-oxooctadec-8-enoic acid
SYSTEMATIC NAME: (E)-10-oxidanylideneoctadec-8-enoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCCCCCC(=O)/C=C/CCCCCCC(=O)O
Structure:
CAS RN: 99640-11-6
CAS Name: (E)-9-oxo-10-octadecenoic acid
OPENEYE Name: (E)-9-oxooctadec-10-enoic acid
IUPAC Name: (E)-9-oxooctadec-10-enoic acid
SYSTEMATIC NAME: (E)-9-oxidanylideneoctadec-10-enoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCCCC/C=C/C(=O)CCCCCCCC(=O)O
Structure:
CAS RN: 99603-89-1
CAS Name: acetic acid [(E,1S)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E,1S)-1-cyano-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E,1S)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(E,1S)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H](C#N)OC(=O)C
Structure:
CAS RN: 99603-88-0
CAS Name: acetic acid [(E,1R)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E,1R)-1-cyano-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E,1R)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(E,1R)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@H](C#N)OC(=O)C
Structure:
CAS RN: 99603-87-9
CAS Name: acetic acid [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ester
OPENEYE Name: [(E,1R)-1-ethynyl-2-methyl-3-(3-phenoxyphenyl)allyl] acetate
IUPAC Name: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/[C@@H](C#C)OC(=O)C
Structure:
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