CAS RN: 20845-56-1
CAS Name: (E)-2-butenedioic acid; 4-(2,3-dihydro-1H-inden-2-yl)-1-methylpiperidine
OPENEYE Name: fumaric acid; 4-indan-2-yl-1-methyl-piperidine
IUPAC Name: (E)-but-2-enedioic acid; 4-(2,3-dihydro-1H-inden-2-yl)-1-methylpiperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-(2,3-dihydro-1H-inden-2-yl)-1-methyl-piperidine
MOLECULAR FORMULA: C19H25NO4
MOLECULAR WEIGHT: 331.4061
SMILES: CN1CCC(CC1)C2CC3=CC=CC=C3C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 20719-23-7
CAS Name: 4-[(E)-3-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide; 4-methylbenzenesulfonate
OPENEYE Name: 4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxo-prop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate
IUPAC Name: 4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-[(E)-3-[[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C50H50N6O8S2
MOLECULAR WEIGHT: 927.0974
SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 20719-22-6
CAS Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[(1-methyl-4-pyridin-1-iumyl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzamide
OPENEYE Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[(1-methylpyridin-1-ium-4-yl)amino]anilino]-3-oxo-prop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
IUPAC Name: 4-methylbenzenesulfonate; 4-[(E)-3-[4-[(1-methylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonate; N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(E)-3-[[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide
MOLECULAR FORMULA: C48H46N6O8S2
MOLECULAR WEIGHT: 899.04424
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C
Structure:
CAS RN: 20302-25-4
CAS Name: 4-[(E)-3-[4-(1-ethyl-3-pyridin-1-iumyl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethyl-3-pyridin-1-iumyl)phenyl]benzamide; 4-methylbenzenesulfonate
OPENEYE Name: 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxo-prop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide; 4-methylbenzenesulfonate
IUPAC Name: 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]-4-[(E)-3-[[4-(1-ethylpyridin-1-ium-3-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C50H48N4O8S2
MOLECULAR WEIGHT: 897.06812
SMILES: CC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 20298-33-3
CAS Name: (Z)-2-butenedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N-methyl-1-propanamine
OPENEYE Name: 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N-methyl-propan-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N-methylpropan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N-methyl-propan-1-amine
MOLECULAR FORMULA: C27H32N2O8
MOLECULAR WEIGHT: 512.55158
SMILES: CNCCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 20224-10-6
CAS Name: (E)-1-(1H-benzimidazol-2-yl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(1H-benzimidazol-2-yl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(1H-benzimidazol-2-yl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1H-benzimidazol-2-yl)-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C16H12N2O
MOLECULAR WEIGHT: 248.27928
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2
Structure:
CAS RN: 20110-36-5
CAS Name: (2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]-3-oxanol
OPENEYE Name: (2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]tetrahydropyran-3-ol
IUPAC Name: (2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]oxan-3-ol
SYSTEMATIC NAME: (2R,3S)-2-[(Z)-non-1-en-3,5,7-triynyl]oxan-3-ol
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: CC#CC#CC#C/C=C\[C@@H]1[C@H](CCCO1)O
Structure:
CAS RN: 20071-87-8
CAS Name: (Z)-2-butenedioic acid; N,N-dimethylcarbamic acid [2-(diphenylmethyl)-3-piperidinyl] ester
OPENEYE Name: (2-benzhydryl-3-piperidyl) N,N-dimethylcarbamate; maleic acid
IUPAC Name: (2-benzhydrylpiperidin-3-yl) N,N-dimethylcarbamate; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; [2-(diphenylmethyl)piperidin-3-yl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C25H30N2O6
MOLECULAR WEIGHT: 454.5155
SMILES: CN(C)C(=O)OC1CCCNC1C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 20071-84-5
CAS Name: (Z)-2-butenedioic acid; 2-(diphenylmethyl)-1-ethyl-3-piperidinol
OPENEYE Name: 2-benzhydryl-1-ethyl-piperidin-3-ol; maleic acid
IUPAC Name: 2-benzhydryl-1-ethylpiperidin-3-ol; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(diphenylmethyl)-1-ethyl-piperidin-3-ol
MOLECULAR FORMULA: C24H29NO5
MOLECULAR WEIGHT: 411.49076
SMILES: CCN1CCCC(C1C(C2=CC=CC=C2)C3=CC=CC=C3)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 20070-57-9
CAS Name: (E)-2-butenedioic acid; 3-methyl-1-phenyl-1-[1-(2-phenylethyl)-3-pyrrolidinyl]urea
OPENEYE Name: fumaric acid; 3-methyl-1-phenyl-1-[1-(2-phenylethyl)pyrrolidin-3-yl]urea
IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-1-phenyl-1-[1-(2-phenylethyl)pyrrolidin-3-yl]urea
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-methyl-1-phenyl-1-[1-(2-phenylethyl)pyrrolidin-3-yl]urea
MOLECULAR FORMULA: C24H29N3O5
MOLECULAR WEIGHT: 439.50416
SMILES: CNC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 20070-55-7
CAS Name: (E)-2-butenedioic acid; 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenylurea
OPENEYE Name: 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenylurea
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea
MOLECULAR FORMULA: C21H31N3O5
MOLECULAR WEIGHT: 405.48794
SMILES: CCCCNC(=O)N(C1CCN(C1)CC)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 20070-54-6
CAS Name: (E)-2-butenedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-yl-3-pyrrolidinyl)urea
OPENEYE Name: 3-butyl-1-(1-isopropylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea
MOLECULAR FORMULA: C22H33N3O5
MOLECULAR WEIGHT: 419.51452
SMILES: CCCCNC(=O)N(C1CCN(C1)C(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
Structure:
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