CAS RN: 26219-23-8
CAS Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]acetic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate hydrochloride
IUPAC Name: ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate hydrochloride
SYSTEMATIC NAME: ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethanoate hydrochloride
MOLECULAR FORMULA: C18H23ClN2O5
MOLECULAR WEIGHT: 382.83862
SMILES: CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3.Cl
Structure:
CAS RN: 26219-22-7
CAS Name: 2-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]acetic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate hydrochloride
IUPAC Name: ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate hydrochloride
SYSTEMATIC NAME: ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethanoate hydrochloride
MOLECULAR FORMULA: C20H29ClN2O6
MOLECULAR WEIGHT: 428.90706
SMILES: CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC.Cl
Structure:
CAS RN: 26197-82-0
CAS Name: (Z)-2-butenedioic acid; N,N-dimethyl-2-(2-phenoxyphenoxy)-1-propanamine
OPENEYE Name: N,N-dimethyl-2-(2-phenoxyphenoxy)propan-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-dimethyl-2-(2-phenoxyphenoxy)propan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-dimethyl-2-(2-phenoxyphenoxy)propan-1-amine
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: CC(CN(C)C)OC1=CC=CC=C1OC2=CC=CC=C2.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 26163-80-4
CAS Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-1-penta-2,4-dienone
OPENEYE Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-morpholino-penta-2,4-dien-1-one
IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
SYSTEMATIC NAME: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-penta-2,4-dien-1-one
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: C1COCCN1C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 26004-68-2
CAS Name: 2-hydroxy-6-methyl-3-[(E)-1-oxobut-2-enyl]-4-pyranone
OPENEYE Name: 3-[(E)-but-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one
IUPAC Name: 3-[(E)-but-2-enoyl]-2-hydroxy-6-methylpyran-4-one
SYSTEMATIC NAME: 3-[(E)-but-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C/C=C/C(=O)C1=C(OC(=CC1=O)C)O
Structure:
CAS RN: 25872-02-0
CAS Name: (E)-3-chloro-1-(1-naphthalenyl)-2-propen-1-one
OPENEYE Name: (E)-3-chloro-1-(1-naphthyl)prop-2-en-1-one
IUPAC Name: (E)-3-chloro-1-naphthalen-1-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-chloranyl-1-naphthalen-1-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H9ClO
MOLECULAR WEIGHT: 216.66296
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/Cl
Structure:
CAS RN: 25858-68-8
CAS Name: (Z)-2-butenedioic acid; 1-(4-heptylphenyl)-2-propanamine
OPENEYE Name: 1-(4-heptylphenyl)propan-2-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-heptylphenyl)propan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(4-heptylphenyl)propan-2-amine
MOLECULAR FORMULA: C20H31NO4
MOLECULAR WEIGHT: 349.46444
SMILES: CCCCCCCC1=CC=C(C=C1)CC(C)N.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25858-67-7
CAS Name: (E)-2-butenedioic acid; 1-(4-hexylphenyl)-2-propanamine
OPENEYE Name: fumaric acid; 1-(4-hexylphenyl)propan-2-amine
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-hexylphenyl)propan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-hexylphenyl)propan-2-amine
MOLECULAR FORMULA: C19H29NO4
MOLECULAR WEIGHT: 335.43786
SMILES: CCCCCCC1=CC=C(C=C1)CC(C)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25858-66-6
CAS Name: (Z)-2-butenedioic acid; 1-(4-pentylphenyl)-2-propanamine
OPENEYE Name: maleic acid; 1-(4-pentylphenyl)propan-2-amine
IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-pentylphenyl)propan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(4-pentylphenyl)propan-2-amine
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCCC1=CC=C(C=C1)CC(C)N.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25858-62-2
CAS Name: (E)-2-butenedioic acid; 1-(4-butylphenyl)-N-methyl-2-propanamine
OPENEYE Name: 1-(4-butylphenyl)-N-methyl-propan-2-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-butylphenyl)-N-methylpropan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-butylphenyl)-N-methyl-propan-2-amine
MOLECULAR FORMULA: C18H27NO4
MOLECULAR WEIGHT: 321.41128
SMILES: CCCCC1=CC=C(C=C1)CC(C)NC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25809-74-9
CAS Name: 4-butyl-4-[(Z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-butyl-4-[(Z)-3-chlorobut-2-enyl]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-butyl-4-[(Z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-butyl-4-[(Z)-3-chloranylbut-2-enyl]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H21ClN2O2
MOLECULAR WEIGHT: 320.81384
SMILES: CCCCC1(C(=O)NN(C1=O)C2=CC=CC=C2)C/C=C(/C)\Cl
Structure:
CAS RN: 25809-71-6
CAS Name: 4-[(Z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[(Z)-3-chlorobut-2-enyl]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[(Z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[(Z)-3-chloranylbut-2-enyl]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C13H13ClN2O2
MOLECULAR WEIGHT: 264.70752
SMILES: C/C(=C/CC1C(=O)NN(C1=O)C2=CC=CC=C2)/Cl
Structure:
CAS RN: 25796-01-4
CAS Name: 4-[(E)-2-(1-naphthalenyl)ethenyl]pyridine hydrochloride
OPENEYE Name: 4-[(E)-2-(1-naphthyl)vinyl]pyridine hydrochloride
IUPAC Name: 4-[(E)-2-naphthalen-1-ylethenyl]pyridine hydrochloride
SYSTEMATIC NAME: 4-[(E)-2-naphthalen-1-ylethenyl]pyridine hydrochloride
MOLECULAR FORMULA: C17H14ClN
MOLECULAR WEIGHT: 267.75276
SMILES: C1=CC=C2C(=C1)C=CC=C2/C=C/C3=CC=NC=C3.Cl
Structure:
CAS RN: 25658-52-0
CAS Name: (9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-2-thioxanthenesulfonamide hydrochloride
OPENEYE Name: (9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide hydrochloride
IUPAC Name: (9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide hydrochloride
SYSTEMATIC NAME: (9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide hydrochloride
MOLECULAR FORMULA: C20H25ClN2O2S2
MOLECULAR WEIGHT: 425.0077
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C.Cl
Structure:
CAS RN: 25616-82-4
CAS Name: (9Z)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-2-thioxanthenesulfonamide hydrochloride
OPENEYE Name: (9Z)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide hydrochloride
IUPAC Name: (9Z)-9-[3-(dimethylamino)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide hydrochloride
SYSTEMATIC NAME: (9Z)-9-[3-(dimethylamino)propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide hydrochloride
MOLECULAR FORMULA: C20H25ClN2O2S2
MOLECULAR WEIGHT: 425.0077
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C.Cl
Structure:
CAS RN: 25616-81-3
CAS Name: (Z)-2-butenedioic acid; (9Z)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-10-oxo-2-thioxanthenesulfonamide
OPENEYE Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxo-thioxanthene-2-sulfonamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxothioxanthene-2-sulfonamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-10-oxidanylidene-thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C31H37N3O11S2
MOLECULAR WEIGHT: 691.76898
SMILES: CN1CCN(CC1)CC/C=C/2\C3=C(S(=O)C4=CC=CC=C24)C=CC(=C3)S(=O)(=O)N(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25616-72-2
CAS Name: (E)-2-butenedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propylidene]-N,N-dimethyl-2-thioxanthenesulfonamide
OPENEYE Name: fumaric acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide
IUPAC Name: (E)-but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C32H39N3O11S2
MOLECULAR WEIGHT: 705.79556
SMILES: CN(S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C\CCN4CCN(CC4)CCO)C=C1)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25562-41-8
CAS Name: (E)-2-butenedioic acid; 1-(1,2-diphenylethyl)-4-methylpiperazine
OPENEYE Name: 1-(1,2-diphenylethyl)-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(1,2-diphenylethyl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(1,2-diphenylethyl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CN1CCN(CC1)C(CC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25562-34-9
CAS Name: (E)-2-butenedioic acid; 1-ethyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
OPENEYE Name: 1-ethyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-ethyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
MOLECULAR FORMULA: C25H30N2O5
MOLECULAR WEIGHT: 438.5161
SMILES: CCN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25558-95-6
CAS Name: (Z)-2-butenedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C25H29ClN2O6
MOLECULAR WEIGHT: 488.96056
SMILES: C1CN(CCN1CCCO)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25558-85-4
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
MOLECULAR FORMULA: C24H28N2O5S
MOLECULAR WEIGHT: 456.55452
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25558-84-3
CAS Name: (E)-2-butenedioic acid; 1-(3-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
OPENEYE Name: fumaric acid; 1-(3-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C24H28N2O6
MOLECULAR WEIGHT: 440.48892
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 25558-81-0
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
MOLECULAR FORMULA: C28H32N2O9
MOLECULAR WEIGHT: 540.56168
SMILES: CC1=CC2=C(OC3=CC=CC=C3CC2N4CCN(CC4)C)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 152657-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H32N2O5
MOLECULAR WEIGHT: 476.56408
SMILES: CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7
Structure:
CAS RN: 280585-34-4
CAS Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
MOLECULAR FORMULA: C19H22O4
MOLECULAR WEIGHT: 314.37558
SMILES: C/C(=C\C(=O)O)/C=C/C1=CC(COC2=C1C=C(C=C2)OC)(C)C
Structure:
CAS RN: 85418-85-5
CAS Name: (Z)-1-[4-[1-hydroxy-1-[4-(propan-2-ylthio)phenyl]propan-2-yl]-1-piperazinyl]-3-phenyl-2-propen-1-one
OPENEYE Name: (Z)-1-[4-[2-hydroxy-2-(4-isopropylsulfanylphenyl)-1-methyl-ethyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one
IUPAC Name: (Z)-1-[4-[1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-[4-[1-oxidanyl-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C25H32N2O2S
MOLECULAR WEIGHT: 424.59878
SMILES: CC(C)SC1=CC=C(C=C1)C(C(C)N2CCN(CC2)C(=O)/C=C\C3=CC=CC=C3)O
Structure:
CAS RN: 58703-77-8
CAS Name: 3-[(2-hydroxyphenyl)-oxomethoxy]-1-propanesulfonic acid
OPENEYE Name: 3-(2-hydroxybenzoyl)oxypropane-1-sulfonic acid
IUPAC Name: 3-(2-hydroxybenzoyl)oxypropane-1-sulfonic acid
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)carbonyloxypropane-1-sulfonic acid
MOLECULAR FORMULA: C10H12O6S
MOLECULAR WEIGHT: 260.26368
SMILES: C1=CC=C(C(=C1)C(=O)OCCCS(=O)(=O)O)O
Structure:
CAS RN: 302904-82-1
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-2-[[3-(1-hydroxy-1-methyl-ethyl)phenyl]methoxy]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-1-[[3-(2-oxidanylpropan-2-yl)phenyl]methoxy]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C32H46O4
MOLECULAR WEIGHT: 494.70524
SMILES: C[C@@H](COCC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
Structure:
CAS RN: 36108-44-8
CAS Name: acetic acid [8-(1,2-dioxopropylamino)-6-hydroxy-5,9-dimethyl-7-oxo-1-[(E)-4-oxopent-2-en-2-yl]-10-benzo[f][1,3]benzodioxinyl] ester
OPENEYE Name: [6-hydroxy-5,9-dimethyl-1-[(E)-1-methyl-3-oxo-but-1-enyl]-7-oxo-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
IUPAC Name: [6-hydroxy-5,9-dimethyl-7-oxo-1-[(E)-4-oxopent-2-en-2-yl]-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
SYSTEMATIC NAME: [5,9-dimethyl-6-oxidanyl-7-oxidanylidene-1-[(E)-4-oxidanylidenepent-2-en-2-yl]-8-(2-oxidanylidenepropanoylamino)benzo[f][1,3]benzodioxin-10-yl] ethanoate
MOLECULAR FORMULA: C24H23NO9
MOLECULAR WEIGHT: 469.44072
SMILES: CC1=C(C(=O)C2=C(C(=C3C(=C(OCO3)/C(=C/C(=O)C)/C)C2=C1OC(=O)C)C)O)NC(=O)C(=O)C
Structure:
CAS RN: 25384-84-3
CAS Name: [2-[[[[(E)-but-2-enyl]amino]-oxomethoxy]methyl]-2-methylpentyl]carbamic acid
OPENEYE Name: [2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methyl-pentyl]carbamic acid
IUPAC Name: [2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methylpentyl]carbamic acid
SYSTEMATIC NAME: [2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methyl-pentyl]carbamic acid
MOLECULAR FORMULA: C13H24N2O4
MOLECULAR WEIGHT: 272.34066
SMILES: CCCC(C)(CNC(=O)O)COC(=O)NC/C=C/C
Structure:
CAS RN: 25367-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37NO6
MOLECULAR WEIGHT: 507.61788
SMILES: C[C@H]1C/C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C\[C@@](C1=O)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)OC(=O)C
Structure:
CAS RN: 25198-37-2
CAS Name: tetrasodium 5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-[(2-hydroxyphenyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(2-hydroxyphenyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C44H32N12Na4O14S4
MOLECULAR WEIGHT: 1173.01596
SMILES: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])NC7=CC=CC=C7O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 24932-87-4
CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]purine
OPENEYE Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-cinnamyl]piperazin-1-yl]purine
IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine
SYSTEMATIC NAME: 9-(1,3-benzodioxol-5-ylmethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine
MOLECULAR FORMULA: C26H26N6O2
MOLECULAR WEIGHT: 454.52364
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3N=CN4CC5=CC6=C(C=C5)OCO6
Structure:
CAS RN: 24926-50-9
CAS Name: 6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-7H-purine
OPENEYE Name: 6-[4-[(E)-cinnamyl]piperazin-1-yl]-7H-purine
IUPAC Name: 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine
SYSTEMATIC NAME: 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine
MOLECULAR FORMULA: C18H20N6
MOLECULAR WEIGHT: 320.3916
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3NC=N4
Structure:
CAS RN: 24868-67-5
CAS Name: (E)-2-butenedioic acid; 8-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: fumaric acid; 8-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
IUPAC Name: (E)-but-2-enedioic acid; 8-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-[(6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C21H26N2O7S
MOLECULAR WEIGHT: 450.50534
SMILES: CC1=CC2=C(C=C1)OC(CO2)CN3CCC4(CC3)NC(=O)CS4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24868-65-3
CAS Name: (E)-2-butenedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C21H26N2O7S
MOLECULAR WEIGHT: 450.50534
SMILES: CC1C(=O)NC2(S1)CCN(CC2)CC3COC4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24868-64-2
CAS Name: (E)-2-butenedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 1-benzyl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: 1-benzyl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C27H30N2O7S
MOLECULAR WEIGHT: 526.6013
SMILES: C1CN(CCC12N(C(=O)CS2)CC3=CC=CC=C3)CC4COC5=CC=CC=C5O4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24868-63-1
CAS Name: (E)-2-butenedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
OPENEYE Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]-4-thia-1,8-diazaspiro[4.5]decan-2-one
MOLECULAR FORMULA: C27H27F3N2O7S
MOLECULAR WEIGHT: 580.57269
SMILES: C1CN(CCC12N(C(=O)CS2)C3=CC=CC(=C3)C(F)(F)F)CC4COC5=CC=CC=C5O4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24826-58-2
CAS Name: 7-chloro-1-[(E)-1-oxo-3-phenylprop-2-enyl]-5-phenyl-1,5-benzodiazepine-2,4-dione
OPENEYE Name: 7-chloro-5-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5-benzodiazepine-2,4-dione
IUPAC Name: 7-chloro-5-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5-benzodiazepine-2,4-dione
SYSTEMATIC NAME: 7-chloranyl-5-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5-benzodiazepine-2,4-dione
MOLECULAR FORMULA: C24H17ClN2O3
MOLECULAR WEIGHT: 416.85638
SMILES: C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 24759-02-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H24N2O5
MOLECULAR WEIGHT: 420.45776
SMILES: CN(C)CCOC1C2=CC=CC=C2C=C(C3=CC=CC=C13)C#N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 24740-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H23NO7
MOLECULAR WEIGHT: 437.44192
SMILES: CN(C)CCOC(=O)C1=CC2=CC=CC=C2C(=O)C3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O
Structure:
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