CAS RN: 67907-10-2
CAS Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-2H-furan-5-one
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2H-furan-5-one
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2H-furan-5-one
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C20H26N2O7
MOLECULAR WEIGHT: 406.42964
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)OC2)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 67883-92-5
CAS Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-2H-furan-5-one
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-(2-thienyl)prop-2-enoyl]-2H-furan-5-one
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 4-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one
MOLECULAR FORMULA: C17H22N2O6S
MOLECULAR WEIGHT: 382.43138
SMILES: C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CS2.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 67883-91-4
CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-2H-furan-5-one; 1-methylpiperazine
OPENEYE Name: 4-hydroxy-3-[(E)-3-(2-thienyl)prop-2-enoyl]-2H-furan-5-one; 1-methylpiperazine
IUPAC Name: 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one; 1-methylpiperazine
SYSTEMATIC NAME: 1-methylpiperazine; 4-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: CN1CCNCC1.C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CS2
Structure:
CAS RN: 67883-90-3
CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-2H-furan-5-one; phenylhydrazine
OPENEYE Name: 4-hydroxy-3-[(E)-3-(2-thienyl)prop-2-enoyl]-2H-furan-5-one; phenylhydrazine
IUPAC Name: 4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one; phenylhydrazine
SYSTEMATIC NAME: 4-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-2H-furan-5-one; phenyldiazane
MOLECULAR FORMULA: C17H16N2O4S
MOLECULAR WEIGHT: 344.38494
SMILES: C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CS2.C1=CC=C(C=C1)NN
Structure:
CAS RN: 67883-89-0
CAS Name: 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-2H-furan-5-one; phenylhydrazine
OPENEYE Name: 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2H-furan-5-one; phenylhydrazine
IUPAC Name: 4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2H-furan-5-one; phenylhydrazine
SYSTEMATIC NAME: 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-oxidanyl-2H-furan-5-one; phenyldiazane
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)OC2)O.C1=CC=C(C=C1)NN
Structure:
CAS RN: 67883-87-8
CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-furan-5-one; 1-methylpiperazine
OPENEYE Name: 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one; 1-methylpiperazine
IUPAC Name: 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one; 1-methylpiperazine
SYSTEMATIC NAME: 1-methylpiperazine; 4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: CN1CCNCC1.C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 67883-86-7
CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-furan-5-one; phenylhydrazine
OPENEYE Name: 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one; phenylhydrazine
IUPAC Name: 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one; phenylhydrazine
SYSTEMATIC NAME: 4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one; phenyldiazane
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)NN
Structure:
CAS RN: 67883-84-5
CAS Name: 4-hydroxy-3-[(E)-4-methyl-1-oxopent-2-enyl]-2H-furan-5-one
OPENEYE Name: 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
IUPAC Name: 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(E)-4-methylpent-2-enoyl]-4-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(C)/C=C/C(=O)C1=C(C(=O)OC1)O
Structure:
CAS RN: 67877-76-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21ClN2O
MOLECULAR WEIGHT: 316.82514
SMILES: C/C=C/CN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24.Cl
Structure:
CAS RN: 67731-61-7
CAS Name: (6aS,8E)-8-ethylidene-3-hydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (6aS,8E)-8-ethylidene-3-hydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (6aS,8E)-8-ethylidene-3-hydroxy-2-methoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (6aS,8E)-8-ethylidene-2-methoxy-3-oxidanyl-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C/C=C/1\C[C@H]2CNC3=CC(=C(C=C3C(=O)N2C1)OC)O
Structure:
CAS RN: 67729-52-6
CAS Name: (E)-2-butenedioic acid; 1-[1-[5-chloro-2-(phenylthio)phenyl]ethyl]-4-methylpiperazine
OPENEYE Name: 1-[1-(5-chloro-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[1-(5-chloranyl-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazine
MOLECULAR FORMULA: C27H31ClN2O8S
MOLECULAR WEIGHT: 579.06164
SMILES: CC(N1CCN(CC1)C)C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 67534-76-3
CAS Name: [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylammonium; dichlorophosphinate
OPENEYE Name: [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethyl-ammonium; dichlorophosphinate
IUPAC Name: [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium; dichlorophosphinate
SYSTEMATIC NAME: bis(chloranyl)phosphinate; [(Z)-3-chloranyl-3-(4-chlorophenyl)prop-2-enylidene]-dimethyl-azanium
MOLECULAR FORMULA: C11H12Cl4NO2P
MOLECULAR WEIGHT: 363.004241
SMILES: C[N+](=C/C=C(/C1=CC=C(C=C1)Cl)\Cl)C.[O-]P(=O)(Cl)Cl
Structure:
CAS RN: 67481-15-6
CAS Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene; phosphoric acid [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate; 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
IUPAC Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: [(E)-2-chloranyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate; 1-methoxy-4-[2,2,2-tris(chloranyl)-1-(4-methoxyphenyl)ethyl]benzene
MOLECULAR FORMULA: C28H29Cl6O6P
MOLECULAR WEIGHT: 705.218021
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl.COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
Structure:
CAS RN: 67401-56-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H49N13O9S6
MOLECULAR WEIGHT: 1144.37436
SMILES: C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)C
Structure:
CAS RN: 67383-64-6
CAS Name: (Z)-2-butenedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-[methyl-(phenylmethyl)amino]ethanol
OPENEYE Name: 2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanol; maleic acid
IUPAC Name: 2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanol; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-[methyl-(phenylmethyl)amino]ethanol
MOLECULAR FORMULA: C26H31NO5
MOLECULAR WEIGHT: 437.52804
SMILES: CN(CC1=CC=CC=C1)CC(C2=C3CCCC3=CC4=C2CCC4)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 67367-96-8
CAS Name: (Z)-2-butenedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol
OPENEYE Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(isopropylamino)ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(propan-2-ylamino)ethanol
MOLECULAR FORMULA: C21H29NO5
MOLECULAR WEIGHT: 375.45866
SMILES: CC(C)NCC(C1=C2CCCC2=CC3=C1CCC3)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 67367-94-6
CAS Name: (E)-2-butenedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine
OPENEYE Name: fumaric acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methyl-methanamine
IUPAC Name: (E)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methyl-methanamine
MOLECULAR FORMULA: C19H25NO5
MOLECULAR WEIGHT: 347.4055
SMILES: CNCOCC1=C2CCCC2=CC3=C1CCC3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 67367-90-2
CAS Name: (Z)-2-butenedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine
OPENEYE Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine
MOLECULAR FORMULA: C22H29NO5
MOLECULAR WEIGHT: 387.46936
SMILES: C1CCN(C1)COCC2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 67367-88-8
CAS Name: (Z)-2-butenedioic acid; N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)-N-(phenylmethyl)-2-propanamine
OPENEYE Name: N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine; maleic acid
IUPAC Name: N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)-N-(phenylmethyl)propan-2-amine
MOLECULAR FORMULA: C28H35NO5
MOLECULAR WEIGHT: 465.5812
SMILES: CC(C)N(CC1=CC=CC=C1)COCC2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)O)\C(=O)O
Structure:
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