Sunday, October 23, 2011

http://ChemLookup.com Compounds




CAS RN: 72806-00-9
CAS Name: (E)-2-butenedioic acid; 1-(cyclopentylamino)-3-phenylmethoxy-2-propanol
OPENEYE Name: 1-benzyloxy-3-(cyclopentylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclopentylamino)-3-phenylmethoxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(cyclopentylamino)-3-phenylmethoxy-propan-2-ol
MOLECULAR FORMULA: C19H27NO6
MOLECULAR WEIGHT: 365.42078
SMILES: C1CCC(C1)NCC(COCC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72805-99-3
CAS Name: (E)-2-butenedioic acid; 1-cyclohexyloxy-3-(cyclopentylamino)-2-propanol
OPENEYE Name: 1-(cyclohexoxy)-3-(cyclopentylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol
MOLECULAR FORMULA: C18H31NO6
MOLECULAR WEIGHT: 357.44184
SMILES: C1CCC(CC1)OCC(CNC2CCCC2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72805-98-2
CAS Name: (E)-2-butenedioic acid; 1-cyclohexyloxy-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(cyclohexoxy)-3-(isopropylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-cyclohexyloxy-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cyclohexyloxy-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C16H29NO6
MOLECULAR WEIGHT: 331.40456
SMILES: CC(C)NCC(COC1CCCCC1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72805-97-1
CAS Name: (E)-2-butenedioic acid; 1-cyclopentyloxy-3-[(phenylmethyl)amino]-2-propanol
OPENEYE Name: 1-(benzylamino)-3-(cyclopentoxy)propan-2-ol; fumaric acid
IUPAC Name: 1-(benzylamino)-3-cyclopentyloxypropan-2-ol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cyclopentyloxy-3-[(phenylmethyl)amino]propan-2-ol
MOLECULAR FORMULA: C19H27NO6
MOLECULAR WEIGHT: 365.42078
SMILES: C1CCC(C1)OCC(CNCC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72805-96-0
CAS Name: (E)-2-butenedioic acid; 1-(cyclopentylamino)-3-cyclopentyloxy-2-propanol
OPENEYE Name: 1-(cyclopentoxy)-3-(cyclopentylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclopentylamino)-3-cyclopentyloxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(cyclopentylamino)-3-cyclopentyloxy-propan-2-ol
MOLECULAR FORMULA: C17H29NO6
MOLECULAR WEIGHT: 343.41526
SMILES: C1CCC(C1)NCC(COC2CCCC2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-18-7
CAS Name: (E)-2-butenedioic acid; 1-(cyclohexylamino)-3-cyclooctyloxy-2-propanol
OPENEYE Name: 1-(cyclohexylamino)-3-(cyclooctoxy)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclohexylamino)-3-cyclooctyloxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(cyclohexylamino)-3-cyclooctyloxy-propan-2-ol
MOLECULAR FORMULA: C21H37NO6
MOLECULAR WEIGHT: 399.52158
SMILES: C1CCCC(CCC1)OCC(CNC2CCCCC2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-17-6
CAS Name: (E)-2-butenedioic acid; 1-cyclooctyloxy-3-[(phenylmethyl)amino]-2-propanol
OPENEYE Name: 1-(benzylamino)-3-(cyclooctoxy)propan-2-ol; fumaric acid
IUPAC Name: 1-(benzylamino)-3-cyclooctyloxypropan-2-ol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cyclooctyloxy-3-[(phenylmethyl)amino]propan-2-ol
MOLECULAR FORMULA: C22H33NO6
MOLECULAR WEIGHT: 407.50052
SMILES: C1CCCC(CCC1)OCC(CNCC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-16-5
CAS Name: (E)-2-butenedioic acid; 1-(butylamino)-3-cyclooctyloxy-2-propanol
OPENEYE Name: 1-(butylamino)-3-(cyclooctoxy)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(butylamino)-3-cyclooctyloxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(butylamino)-3-cyclooctyloxy-propan-2-ol
MOLECULAR FORMULA: C19H35NO6
MOLECULAR WEIGHT: 373.4843
SMILES: CCCCNCC(COC1CCCCCCC1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-15-4
CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-cyclooctyloxy-2-propanol
OPENEYE Name: 1-(tert-butylamino)-3-(cyclooctoxy)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-cyclooctyloxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-cyclooctyloxy-propan-2-ol
MOLECULAR FORMULA: C19H35NO6
MOLECULAR WEIGHT: 373.4843
SMILES: CC(C)(C)NCC(COC1CCCCCCC1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-14-3
CAS Name: (E)-2-butenedioic acid; 1-cyclooctyloxy-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(cyclooctoxy)-3-(isopropylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C18H33NO6
MOLECULAR WEIGHT: 359.45772
SMILES: CC(C)NCC(COC1CCCCCCC1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-13-2
CAS Name: (E)-2-butenedioic acid; 1-cycloheptyloxy-3-(cyclohexylamino)-2-propanol
OPENEYE Name: 1-(cycloheptoxy)-3-(cyclohexylamino)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-cycloheptyloxy-3-(cyclohexylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cycloheptyloxy-3-(cyclohexylamino)propan-2-ol
MOLECULAR FORMULA: C20H35NO6
MOLECULAR WEIGHT: 385.495
SMILES: C1CCCC(CC1)OCC(CNC2CCCCC2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-12-1
CAS Name: (E)-2-butenedioic acid; 1-cycloheptyloxy-3-[(phenylmethyl)amino]-2-propanol
OPENEYE Name: 1-(benzylamino)-3-(cycloheptoxy)propan-2-ol; fumaric acid
IUPAC Name: 1-(benzylamino)-3-cycloheptyloxypropan-2-ol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-cycloheptyloxy-3-[(phenylmethyl)amino]propan-2-ol
MOLECULAR FORMULA: C21H31NO6
MOLECULAR WEIGHT: 393.47394
SMILES: C1CCCC(CC1)OCC(CNCC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-11-0
CAS Name: (E)-2-butenedioic acid; 1-(butylamino)-3-cycloheptyloxy-2-propanol
OPENEYE Name: 1-(butylamino)-3-(cycloheptoxy)propan-2-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(butylamino)-3-cycloheptyloxypropan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(butylamino)-3-cycloheptyloxy-propan-2-ol
MOLECULAR FORMULA: C18H33NO6
MOLECULAR WEIGHT: 359.45772
SMILES: CCCCNCC(COC1CCCCCC1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72745-10-9
CAS Name: (E)-4-[1-(tert-butylamino)-3-cycloheptyloxypropan-2-yl]oxy-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[1-[(tert-butylamino)methyl]-2-(cycloheptoxy)ethoxy]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[1-(tert-butylamino)-3-cycloheptyloxypropan-2-yl]oxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[1-(tert-butylamino)-3-cycloheptyloxy-propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C18H31NO5
MOLECULAR WEIGHT: 341.44244
SMILES: CC(C)(C)NCC(COC1CCCCCC1)OC(=O)/C=C/C(=O)O
Structure:

CAS RN: 72745-09-6
CAS Name: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[1-(cycloheptoxymethyl)-2-(isopropylamino)ethoxy]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H29NO5
MOLECULAR WEIGHT: 327.41586
SMILES: CC(C)NCC(COC1CCCCCC1)OC(=O)/C=C/C(=O)O
Structure:

CAS RN: 72732-42-4
CAS Name: N-[(5E)-5-[(E)-4-(2-furanyl)but-3-en-2-ylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
OPENEYE Name: N-[(5E)-5-[(E)-3-(2-furyl)-1-methyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide
IUPAC Name: N-[(5E)-5-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(5E)-5-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C17H13N3O3S2
MOLECULAR WEIGHT: 371.43342
SMILES: C/C(=C\1/C(=O)N(C(=S)S1)NC(=O)C2=CC=NC=C2)/C=C/C3=CC=CO3
Structure:

CAS RN: 72615-17-9
CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (triphenylmethyl) ester
OPENEYE Name: trityl 3-[(E)-2-acetamidovinyl]sulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC Name: trityl 3-[(E)-2-acetamidoethenyl]sulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: (triphenylmethyl) 3-[(E)-2-acetamidoethenyl]sulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C32H30N2O4S
MOLECULAR WEIGHT: 538.6566
SMILES: CCC1C2CC(=C(N2C1=O)C(=O)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S/C=C/NC(=O)C
Structure:

CAS RN: 72578-17-7
CAS Name: 1-(cyclopropylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(cyclopropylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-(cyclopropylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(cyclopropylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC3CC3)O
Structure:

CAS RN: 72578-11-1
CAS Name: 1-(but-3-yn-2-ylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(1-methylprop-2-ynylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-(but-3-yn-2-ylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(but-3-yn-2-ylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C18H21N3O2S
MOLECULAR WEIGHT: 343.44324
SMILES: CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC(C)C#C)O
Structure:

CAS RN: 72578-10-0
CAS Name: 1-(tert-butylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(tert-butylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-(tert-butylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C18H25N3O2S
MOLECULAR WEIGHT: 347.475
SMILES: CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC(C)(C)C)O
Structure:

CAS RN: 72578-09-7
CAS Name: 1-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C17H23N3O2S
MOLECULAR WEIGHT: 333.44842
SMILES: CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC(C)C)O
Structure:

CAS RN: 72468-87-2
CAS Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]-3-piperidinol hydrochloride
OPENEYE Name: 1-[4-[2-[(E)-styryl]phenoxy]butyl]piperidin-3-ol hydrochloride
IUPAC Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidin-3-ol hydrochloride
SYSTEMATIC NAME: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidin-3-ol hydrochloride
MOLECULAR FORMULA: C23H30ClNO2
MOLECULAR WEIGHT: 387.9428
SMILES: C1CC(CN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3)O.Cl
Structure:

CAS RN: 72468-86-1
CAS Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]pyrrolidine hydrochloride
OPENEYE Name: 1-[4-[2-[(E)-styryl]phenoxy]butyl]pyrrolidine hydrochloride
IUPAC Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C22H28ClNO
MOLECULAR WEIGHT: 357.91682
SMILES: C1CCN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3.Cl
Structure:

CAS RN: 72468-85-0
CAS Name: 1-methyl-4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazine dihydrochloride
OPENEYE Name: 1-methyl-4-[4-[2-[(E)-styryl]phenoxy]butyl]piperazine dihydrochloride
IUPAC Name: 1-methyl-4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-methyl-4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazine dihydrochloride
MOLECULAR FORMULA: C23H32Cl2N2O
MOLECULAR WEIGHT: 423.41898
SMILES: CN1CCN(CC1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3.Cl.Cl
Structure:

CAS RN: 72468-84-9
CAS Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidine hydrochloride
OPENEYE Name: 1-[4-[2-[(E)-styryl]phenoxy]butyl]piperidine hydrochloride
IUPAC Name: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidine hydrochloride
SYSTEMATIC NAME: 1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidine hydrochloride
MOLECULAR FORMULA: C23H30ClNO
MOLECULAR WEIGHT: 371.9434
SMILES: C1CCN(CC1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3.Cl
Structure:

CAS RN: 72468-83-8
CAS Name: 2-[4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]-1-piperazinyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-[4-[2-[(E)-styryl]phenoxy]butyl]piperazin-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazin-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazin-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C24H34Cl2N2O2
MOLECULAR WEIGHT: 453.44496
SMILES: C1CN(CCN1CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3)CCO.Cl.Cl
Structure:

CAS RN: 72468-82-7
CAS Name: N-methyl-4-[2-[(E)-2-phenylethenyl]phenoxy]-1-butanamine hydrochloride
OPENEYE Name: N-methyl-4-[2-[(E)-styryl]phenoxy]butan-1-amine hydrochloride
IUPAC Name: N-methyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine hydrochloride
SYSTEMATIC NAME: N-methyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine hydrochloride
MOLECULAR FORMULA: C19H24ClNO
MOLECULAR WEIGHT: 317.85296
SMILES: CNCCCCOC1=CC=CC=C1/C=C/C2=CC=CC=C2.Cl
Structure:

CAS RN: 72468-80-5
CAS Name: N,N-dimethyl-4-[2-[(E)-2-phenylethenyl]phenoxy]-1-butanamine hydrochloride
OPENEYE Name: N,N-dimethyl-4-[2-[(E)-styryl]phenoxy]butan-1-amine hydrochloride
IUPAC Name: N,N-dimethyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine hydrochloride
MOLECULAR FORMULA: C20H26ClNO
MOLECULAR WEIGHT: 331.87954
SMILES: CN(C)CCCCOC1=CC=CC=C1/C=C/C2=CC=CC=C2.Cl
Structure:

CAS RN: 72461-61-1
CAS Name: (E)-2-butenedioic acid; 3-[4-[2-(9H-fluoren-9-yloxy)ethyl]-1-piperazinyl]propanoic acid
OPENEYE Name: 3-[4-[2-(9H-fluoren-9-yloxy)ethyl]piperazin-1-yl]propanoic acid; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-[2-(9H-fluoren-9-yloxy)ethyl]piperazin-1-yl]propanoic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-[2-(9H-fluoren-9-yloxy)ethyl]piperazin-1-yl]propanoic acid
MOLECULAR FORMULA: C30H34N2O11
MOLECULAR WEIGHT: 598.59776
SMILES: C1N(CCN(C1)CCOC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72442-43-4
CAS Name: (E)-2-butenedioic acid; 4-ethoxy-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methyl-5-pyrimidinecarboxamide
OPENEYE Name: 4-ethoxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidine-5-carboxamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-ethoxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpyrimidine-5-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-ethoxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C42H60N8O16
MOLECULAR WEIGHT: 932.9698
SMILES: CCN1[C@@H](CCC1)CNC(=O)C2=CN=C(N=C2OCC)C.CCN1[C@@H](CCC1)CNC(=O)C2=CN=C(N=C2OCC)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72412-54-5
CAS Name: (E)-2-butenedioic acid; 4-methoxy-2-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxamide
OPENEYE Name: N-(1-benzyl-4-piperidyl)-4-methoxy-2-methyl-pyrimidine-5-carboxamide; fumaric acid
IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-methoxy-2-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H28N4O6
MOLECULAR WEIGHT: 456.49162
SMILES: CC1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72412-13-6
CAS Name: (E)-2-butenedioic acid; N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-2-propyl-5-pyrimidinecarboxamide
OPENEYE Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propyl-pyrimidine-5-carboxamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propylpyrimidine-5-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propyl-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C44H64N8O16
MOLECULAR WEIGHT: 961.02296
SMILES: CCCC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC.CCCC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72156-41-3
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-propanamine; (E)-2-butenedioic acid
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; fumaric acid
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C26H34N2O8
MOLECULAR WEIGHT: 502.55676
SMILES: CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72156-35-5
CAS Name: (E)-2-butenedioic acid; 2-(tert-butylamino)-1-phenylethanol
OPENEYE Name: 2-(tert-butylamino)-1-phenyl-ethanol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(tert-butylamino)-1-phenylethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(tert-butylamino)-1-phenyl-ethanol
MOLECULAR FORMULA: C28H42N2O6
MOLECULAR WEIGHT: 502.64288
SMILES: CC(C)(C)NCC(C1=CC=CC=C1)O.CC(C)(C)NCC(C1=CC=CC=C1)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 72129-77-2
CAS Name: (E)-1,3-bis(4-methoxyphenyl)-2-methyl-2-propen-1-one
OPENEYE Name: (E)-1,3-bis(4-methoxyphenyl)-2-methyl-prop-2-en-1-one
IUPAC Name: (E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-bis(4-methoxyphenyl)-2-methyl-prop-2-en-1-one
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: C/C(=C\C1=CC=C(C=C1)OC)/C(=O)C2=CC=C(C=C2)OC
Structure:

CAS RN: 72093-23-3
CAS Name: (E)-3,4-dimethyl-2-pentenoic acid [17-acetyl-8,14-dihydroxy-3-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanth
OPENEYE Name: [17-acetyl-8,14-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-
IUPAC Name: [17-acetyl-8,14-dihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
SYSTEMATIC NAME: [17-ethanoyl-3-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14-bis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpen
MOLECULAR FORMULA: C49H78O15
MOLECULAR WEIGHT: 907.13462
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6(CC=C5C4)O)O)C(=O)C)C)OC(=O)/C=C(\C)/C(C)C)C)C)C)OC)O
Structure:

CAS RN: 72051-63-9
CAS Name: 4-amino-N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-thiazol-2-yl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-thiazol-2-yl]benzenesulfonamide
IUPAC Name: 4-amino-N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C15H22N4O2S2
MOLECULAR WEIGHT: 354.49078
SMILES: CCN(CC)C/C=C/1\CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
Structure:

CAS RN: 72050-88-5
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
OPENEYE Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
MOLECULAR FORMULA: C32H48N2O2
MOLECULAR WEIGHT: 492.73572
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)/C)/C)C
Structure:

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