CAS RN: 24191-76-2
CAS Name: (E)-2-butenedioic acid; (9S)-9-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl (9S)-9-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylamino)ethyl (9S)-9-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(dimethylamino)ethyl (9S)-9-methyl-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decane-2-carboxylate
MOLECULAR FORMULA: C18H28N2O8
MOLECULAR WEIGHT: 400.42352
SMILES: C[C@H]1CCCC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24060-94-4
CAS Name: (E)-3-phenyl-1-pyridin-4-yl-2-propen-1-ol
OPENEYE Name: (E)-3-phenyl-1-(4-pyridyl)prop-2-en-1-ol
IUPAC Name: (E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-phenyl-1-pyridin-4-yl-prop-2-en-1-ol
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1=CC=C(C=C1)/C=C/C(C2=CC=NC=C2)O
Structure:
CAS RN: 23996-92-1
CAS Name: [(2E,4E)-5-[bis(2-hydroxyethyl)amino]penta-2,4-dienylidene]-bis(2-hydroxyethyl)ammonium perchlorate
OPENEYE Name: [(2E,4E)-5-[bis(2-hydroxyethyl)amino]penta-2,4-dienylidene]-bis(2-hydroxyethyl)ammonium perchlorate
IUPAC Name: [(2E,4E)-5-[bis(2-hydroxyethyl)amino]penta-2,4-dienylidene]-bis(2-hydroxyethyl)azanium perchlorate
SYSTEMATIC NAME: [(2E,4E)-5-[bis(2-hydroxyethyl)amino]penta-2,4-dienylidene]-bis(2-hydroxyethyl)azanium perchlorate
MOLECULAR FORMULA: C13H25ClN2O8
MOLECULAR WEIGHT: 372.7992
SMILES: C(CO)N(CCO)/C=C/C=C/C=[N+](CCO)CCO.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 23996-76-1
CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylate; 1-[(1E,3E)-5-(1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine
OPENEYE Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SYSTEMATIC NAME: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
MOLECULAR FORMULA: C53H65N4O6+
MOLECULAR WEIGHT: 854.1064
SMILES: C1CCN(CC1)/C=C/C=C/C=[N+]2CCCCC2.C1CCN(CC1)/C=C/C=C/C=[N+]2CCCCC2.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)O)CC3=C(C(=CC4=CC=CC=C34)C(=O)[O-])O
Structure:
CAS RN: 23887-67-4
CAS Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxo-1-cyclohex-3-enyl]penta-2,4-dienyl]benzaldehyde
OPENEYE Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxo-cyclohex-3-en-1-yl]penta-2,4-dienyl]benzaldehyde
IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]penta-2,4-dienyl]benzaldehyde
SYSTEMATIC NAME: 3-chloranyl-2-methyl-5-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxidanylidene-cyclohex-3-en-1-yl]penta-2,4-dienyl]-4,6-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C23H27ClO4
MOLECULAR WEIGHT: 402.91108
SMILES: C[C@@H]1C=CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C
Structure:
CAS RN: 23812-97-7
CAS Name: acetic acid [(4Z,6Z,10Z,12Z)-14-(1,2-dioxopropylamino)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(4Z,6Z,10Z,12Z)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
IUPAC Name: [(4Z,6Z,10Z,12Z)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
SYSTEMATIC NAME: [(4Z,6Z,10Z,12Z)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ethanoate
MOLECULAR FORMULA: C27H35NO8
MOLECULAR WEIGHT: 501.5687
SMILES: CC1C2CC(/C=C\C(=C/CC(/C=C\C(=C/C(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)\C)OC(=O)C)\C)O
Structure:
CAS RN: 23804-85-5
CAS Name: 8-[(E)-3-phenylprop-1-enyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-[(E)-3-phenylprop-1-enyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-[(E)-3-phenylprop-1-enyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-[(E)-3-phenylprop-1-enyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: C1CN(CCC12CNC(=O)O2)/C=C/CC3=CC=CC=C3
Structure:
CAS RN: 23779-74-0
CAS Name: (E)-1-[4-(2-methylphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4-(o-tolyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 23776-37-6
CAS Name: (E)-1-[4-(2-chlorophenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C22H25ClN2O4
MOLECULAR WEIGHT: 416.8979
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3Cl
Structure:
CAS RN: 23763-97-5
CAS Name: (E)-2-butenedioic acid bis[(5-fluoro-3-pyridinyl)methyl] ester
OPENEYE Name: bis[(5-fluoro-3-pyridyl)methyl] (E)-but-2-enedioate
IUPAC Name: bis[(5-fluoropyridin-3-yl)methyl] (E)-but-2-enedioate
SYSTEMATIC NAME: bis[(5-fluoranylpyridin-3-yl)methyl] (E)-but-2-enedioate
MOLECULAR FORMULA: C16H12F2N2O4
MOLECULAR WEIGHT: 334.274286
SMILES: C1=C(C=NC=C1F)COC(=O)/C=C/C(=O)OCC2=CC(=CN=C2)F
Structure:
CAS RN: 23737-32-8
CAS Name: (E)-2-butenedioic acid; 11-(4-methyl-1-piperazinyl)-6,11-dihydrobenzo[c][1]benzothiepin 5,5-dioxide
OPENEYE Name: fumaric acid; 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
IUPAC Name: (E)-but-2-enedioic acid; 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 11-(4-methylpiperazin-1-yl)-6,11-dihydrobenzo[c][1]benzothiepine 5,5-dioxide
MOLECULAR FORMULA: C23H26N2O6S
MOLECULAR WEIGHT: 458.52734
SMILES: CN1CCN(CC1)C2C3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23614-30-4
CAS Name: 3-[(E)-2-dibutoxyphosphorylethenyl]pyridine
OPENEYE Name: 3-[(E)-2-dibutoxyphosphorylvinyl]pyridine
IUPAC Name: 3-[(E)-2-dibutoxyphosphorylethenyl]pyridine
SYSTEMATIC NAME: 3-[(E)-2-dibutoxyphosphorylethenyl]pyridine
MOLECULAR FORMULA: C15H24NO3P
MOLECULAR WEIGHT: 297.329721
SMILES: CCCCOP(=O)(/C=C/C1=CN=CC=C1)OCCCC
Structure:
CAS RN: 23498-39-7
CAS Name: acetic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3-acetyloxy-14-[[(2R)-2-acetyloxy-1-oxopropyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3-acetoxy-14-[[(2R)-2-acetoxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3-acetyloxy-14-[[(2R)-2-acetyloxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3-acetyloxy-14-[[(2R)-2-acetyloxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-bis(oxidanylidene)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ethanoate
MOLECULAR FORMULA: C31H41NO10
MOLECULAR WEIGHT: 587.65794
SMILES: C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)OC(=O)C)\C)OC(=O)C)\C)OC(=O)C
Structure:
CAS RN: 23498-38-6
CAS Name: acetic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-acetyloxy-14-(1,2-dioxopropylamino)-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-acetoxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-acetyloxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-acetyloxy-6,12,15,18-tetramethyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ethanoate
MOLECULAR FORMULA: C29H37NO9
MOLECULAR WEIGHT: 543.60538
SMILES: C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)\C)OC(=O)C)\C)OC(=O)C
Structure:
CAS RN: 23402-08-6
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C30H31ClN2O5S
MOLECULAR WEIGHT: 567.09554
SMILES: COC1=CC=C(C=C1)CN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23258-76-6
CAS Name: (E)-2-butenedioic acid; N-(2-methoxyphenyl)-N-(3-pyrrolidinyl)propanamide
OPENEYE Name: fumaric acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propanamide
IUPAC Name: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propanamide
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCC(=O)N(C1CCNC1)C2=CC=CC=C2OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23258-75-5
CAS Name: (E)-2-butenedioic acid; N-(2,3-dimethylphenyl)-N-(1-ethyl-3-pyrrolidinyl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(2,3-dimethylphenyl)-N-(1-ethylpyrrolidin-3-yl)-2,2,2-trifluoro-acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-(2,3-dimethylphenyl)-N-(1-ethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(2,3-dimethylphenyl)-N-(1-ethylpyrrolidin-3-yl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C20H25F3N2O5
MOLECULAR WEIGHT: 430.41811
SMILES: CCN1CCC(C1)N(C2=CC=CC(=C2C)C)C(=O)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23258-73-3
CAS Name: (E)-2-butenedioic acid; N-(1-methyl-3-pyrrolidinyl)-N-phenylpropanamide
OPENEYE Name: fumaric acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propanamide
IUPAC Name: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)-N-phenylpropanamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propanamide
MOLECULAR FORMULA: C18H24N2O5
MOLECULAR WEIGHT: 348.39356
SMILES: CCC(=O)N(C1CCN(C1)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23239-21-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38N2O9
MOLECULAR WEIGHT: 558.62002
SMILES: CCO[C@@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 23172-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: C/C=C\1/CN2[C@H]3CC1C(C2CC4=C3NC5=C4C=CC(=C5)OC)CO
Structure:
CAS RN: 23168-93-6
CAS Name: (E)-2-butenedioic acid; 1-phenylpiperazine
OPENEYE Name: fumaric acid; 1-phenylpiperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-phenylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-phenylpiperazine
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: C1CN(CCN1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23114-22-9
CAS Name: 4-[(Z)-(6-methoxy-1-indenylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(Z)-(6-methoxyinden-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(Z)-(6-methoxyinden-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(Z)-(6-methoxyinden-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C19H19NO
MOLECULAR WEIGHT: 277.36026
SMILES: CN(C)C1=CC=C(C=C1)/C=C\2/C=CC3=C2C=C(C=C3)OC
Structure:
CAS RN: 23114-21-8
CAS Name: 4-[(Z)-(5-methoxy-1-indenylidene)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(Z)-(5-methoxyinden-1-ylidene)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(Z)-(5-methoxyinden-1-ylidene)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(Z)-(5-methoxyinden-1-ylidene)methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C19H19NO
MOLECULAR WEIGHT: 277.36026
SMILES: CN(C)C1=CC=C(C=C1)/C=C\2/C=CC3=C2C=CC(=C3)OC
Structure:
CAS RN: 23095-76-3
CAS Name: (E)-4-(4-chlorophenoxy)-4-oxo-2-butenoic acid; N,N-dimethyl-3-(2-pyridinyl)-1-propanamine
OPENEYE Name: (E)-4-(4-chlorophenoxy)-4-oxo-but-2-enoic acid; N,N-dimethyl-3-(2-pyridyl)propan-1-amine
IUPAC Name: (E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SYSTEMATIC NAME: (E)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine
MOLECULAR FORMULA: C20H23ClN2O4
MOLECULAR WEIGHT: 390.86062
SMILES: CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)/C=C/C(=O)O)Cl
Structure:
CAS RN: 23092-98-0
CAS Name: (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoic acid [(7S)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methyl-butanoate
IUPAC Name: [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate
SYSTEMATIC NAME: [(7S)-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (2R)-2-[(1S)-1-methoxyethyl]-3-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C21H31NO7
MOLECULAR WEIGHT: 409.47334
SMILES: C/C=C(\C)/C(=O)O[C@H]1CCN2C1=C(C=C2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O
Structure:
CAS RN: 23044-46-4
CAS Name: (Z)-2-butenedioic acid; 1-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyphenoxy)pyrrolidine
OPENEYE Name: 1-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyphenoxy)pyrrolidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyphenoxy)pyrrolidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[3-(4-fluoranylphenoxy)propyl]-3-(2-methoxyphenoxy)pyrrolidine
MOLECULAR FORMULA: C24H28FNO7
MOLECULAR WEIGHT: 461.480023
SMILES: COC1=CC=CC=C1OC2CCN(C2)CCCOC3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 23044-44-2
CAS Name: (Z)-2-butenedioic acid; 3-(2-methoxyphenoxy)-1-(2-phenoxyethyl)pyrrolidine
OPENEYE Name: maleic acid; 3-(2-methoxyphenoxy)-1-(2-phenoxyethyl)pyrrolidine
IUPAC Name: (Z)-but-2-enedioic acid; 3-(2-methoxyphenoxy)-1-(2-phenoxyethyl)pyrrolidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(2-methoxyphenoxy)-1-(2-phenoxyethyl)pyrrolidine
MOLECULAR FORMULA: C23H27NO7
MOLECULAR WEIGHT: 429.46298
SMILES: COC1=CC=CC=C1OC2CCN(C2)CCOC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 23044-43-1
CAS Name: (E)-2-butenedioic acid; 3-(2-methoxyphenoxy)-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidine
OPENEYE Name: fumaric acid; 3-(2-methoxyphenoxy)-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenoxy)-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(2-methoxyphenoxy)-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidine
MOLECULAR FORMULA: C24H29NO8
MOLECULAR WEIGHT: 459.48896
SMILES: COC1=CC=CC=C1OCCN2CCC(C2)OC3=CC=CC=C3OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 23044-19-1
CAS Name: (E)-2-butenedioic acid; N-phenylcarbamic acid 3-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]propyl ester
OPENEYE Name: fumaric acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
IUPAC Name: (E)-but-2-enedioic acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
MOLECULAR FORMULA: C46H56N4O12
MOLECULAR WEIGHT: 856.95644
SMILES: COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 22912-88-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H59N3O13
MOLECULAR WEIGHT: 837.95156
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCN5CCCC5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 22912-78-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N4O13
MOLECULAR WEIGHT: 866.99278
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCN5CCN(CC5)C)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 22662-32-4
CAS Name: (E)-1-[4-(2-pyridinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4-(2-pyridyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C21H25N3O4
MOLECULAR WEIGHT: 383.4409
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=N3
Structure:
CAS RN: 22581-06-2
CAS Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
OPENEYE Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
SYSTEMATIC NAME: 3-chloranyl-2-methyl-4,6-bis(oxidanyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
MOLECULAR FORMULA: C23H31ClO3
MOLECULAR WEIGHT: 390.94344
SMILES: CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O
Structure:
CAS RN: 22487-46-3
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5-benzo[b][1]benzothiepinyl)-4-methylpiperazine
OPENEYE Name: 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H23ClN2O4S
MOLECULAR WEIGHT: 458.95772
SMILES: CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 22431-61-4
CAS Name: 1-(5-benzo[b][1]benzoxepinyl)-4-methylpiperazine; (E)-2-butenedioic acid
OPENEYE Name: 1-benzo[b][1]benzoxepin-5-yl-4-methyl-piperazine; fumaric acid
IUPAC Name: 1-benzo[b][1]benzoxepin-5-yl-4-methylpiperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 1-benzo[b][1]benzoxepin-5-yl-4-methyl-piperazine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CN1CCN(CC1)C2=CC3=CC=CC=C3OC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 22384-84-5
CAS Name: 4-[(E)-2-methyl-4-(1-piperidinyl)but-2-enyl]benzenesulfonamide hydrochloride
OPENEYE Name: 4-[(E)-2-methyl-4-(1-piperidyl)but-2-enyl]benzenesulfonamide hydrochloride
IUPAC Name: 4-[(E)-2-methyl-4-piperidin-1-ylbut-2-enyl]benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[(E)-2-methyl-4-piperidin-1-yl-but-2-enyl]benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C16H25ClN2O2S
MOLECULAR WEIGHT: 344.8999
SMILES: C/C(=C\CN1CCCCC1)/CC2=CC=C(C=C2)S(=O)(=O)N.Cl
Structure:
CAS RN: 22384-81-2
CAS Name: 4-[(E)-4-(1-piperidinyl)but-2-enyl]benzenesulfonamide hydrochloride
OPENEYE Name: 4-[(E)-4-(1-piperidyl)but-2-enyl]benzenesulfonamide hydrochloride
IUPAC Name: 4-[(E)-4-piperidin-1-ylbut-2-enyl]benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[(E)-4-piperidin-1-ylbut-2-enyl]benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C15H23ClN2O2S
MOLECULAR WEIGHT: 330.87332
SMILES: C1CCN(CC1)C/C=C/CC2=CC=C(C=C2)S(=O)(=O)N.Cl
Structure:
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