CAS RN: 211691-00-8
CAS Name: (Z)-3-(methylthio)-2-propenoic acid [(1R,2R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] ester
OPENEYE Name: [(1R,2R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate
IUPAC Name: [(1R,2R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate
SYSTEMATIC NAME: [(1R,2R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate
MOLECULAR FORMULA: C19H26O4S
MOLECULAR WEIGHT: 350.47234
SMILES: C[C@H]1[C@@H](CCC2=CC(=O)C(=C[C@]12C)C(C)(C)O)OC(=O)/C=C\SC
Structure:
CAS RN: 189883-16-7
CAS Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
OPENEYE Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxo-heptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
IUPAC Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-5,9,11,13,15-pentamethyl-14-oxidanyl-12-oxidanylidene-heptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C29H44O4
MOLECULAR WEIGHT: 456.65726
SMILES: CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1)O
Structure:
CAS RN: 207350-09-2
CAS Name: (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-2-propenamide
OPENEYE Name: (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-prop-2-enamide
IUPAC Name: (Z)-3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
SYSTEMATIC NAME: (Z)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-3-(phenylsulfinyl)prop-2-enamide
MOLECULAR FORMULA: C21H23NO4S
MOLECULAR WEIGHT: 385.47662
SMILES: CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C\S(=O)C3=CC=CC=C3
Structure:
CAS RN: 201009-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H39N4O2+
MOLECULAR WEIGHT: 583.74186
SMILES: CCC1=C[N+]2=C(C=C1C3=CN4[C@H]5[C@H]([C@@H]3O)[C@H]\6C[C@H]7[C@@]5(CCN7C/C6=C/CO)C8=CC=CC=C84)C9=C(CC2)C1=CC=CC=C1N9
Structure:
CAS RN: 178182-49-5
CAS Name: (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-7'-methoxy-5',8',9-trioxo-7-spiro[3,4-dihydropyrano[4,3-g][1]benzopyran-2,2'-3H-benzo[f]benzofuran]carboxylic acid methyl ester
OPENEYE Name: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f]benzofuran]-7-carboxylate
IUPAC Name: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
SYSTEMATIC NAME: methyl (2R,3R,3'R)-7'-methoxy-3'-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-3,4',9',10-tetrakis(oxidanyl)-5',8',9-tris(oxidanylidene)spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
MOLECULAR FORMULA: C33H30O17
MOLECULAR WEIGHT: 698.5811
SMILES: CC1C(C(CC(O1)O[C@@H]2C3=C(C4=C(C(=C3O[C@]25[C@@H](CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O
Structure:
CAS RN: 55256-53-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20O8
MOLECULAR WEIGHT: 412.3894
SMILES: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@]4(C=CO5)O)O)O
Structure:
CAS RN: 73376-38-2
CAS Name: (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
OPENEYE Name: (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
IUPAC Name: (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
SYSTEMATIC NAME: (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
MOLECULAR FORMULA: C16H29NO2
MOLECULAR WEIGHT: 267.40696
SMILES: CCCC[C@@H](C)/C=C/1\CN2CCC[C@H]2[C@@]([C@@H]1O)(C)O
Structure:
CAS RN: 52248-48-3
CAS Name: (2S,3S)-2,3-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid
OPENEYE Name: (2S,3S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
IUPAC Name: (2S,3S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
SYSTEMATIC NAME: (2S,3S)-2,3-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]butanedioic acid
MOLECULAR FORMULA: C22H18O12
MOLECULAR WEIGHT: 474.37112
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@H](C(=O)O)[C@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O
Structure:
CAS RN: 471-05-6
CAS Name: (2E,6E,10E)-2,6,9,9-tetramethyl-1-cycloundeca-2,6,10-trienone
OPENEYE Name: (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
IUPAC Name: (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SYSTEMATIC NAME: (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C
Structure:
CAS RN: 20224-09-3
CAS Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2
Structure:
CAS RN: 959-36-4
CAS Name: (6Z)-6-[[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[2-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[2-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[2-[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=C/C(=C/NN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 179733-15-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H56N2
MOLECULAR WEIGHT: 468.80044
SMILES: C1CCCCN2C[C@H]3CCCC/C=C\CCCCN4CC[C@@H]([C@@H](C4)CC/C=C\CCC1)[C@H](C3)C2
Structure:
CAS RN: 179733-14-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H56N2
MOLECULAR WEIGHT: 468.80044
SMILES: C1CCC[C@@H]2CN3CCCC/C=C\CCCC[C@H]4C[C@@H]([C@H]2CC3)CN(C4)CCCC/C=C\CC1
Structure:
CAS RN: 81203-57-8
CAS Name: (3S,9Z)-3-heptadeca-1,9-dien-4,6-diynol
OPENEYE Name: (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
IUPAC Name: (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
SYSTEMATIC NAME: (3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
MOLECULAR FORMULA: C17H24O
MOLECULAR WEIGHT: 244.37186
SMILES: CCCCCCC/C=C\CC#CC#C[C@H](C=C)O
Structure:
CAS RN: 191539-54-5
CAS Name: (3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthalenyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl]-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
OPENEYE Name: (3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
IUPAC Name: (3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
SYSTEMATIC NAME: (3R)-5-[3-[4-[(1R,3R)-1,3-dimethyl-6,8-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]-8-methoxy-6-methyl-1-oxidanyl-naphthalen-2-yl]-5-methoxy-7-methyl-4-oxidanyl-naphthalen-1-yl]-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one
MOLECULAR FORMULA: C47H48N2O8
MOLECULAR WEIGHT: 768.89262
SMILES: C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=CC(=C(C4=C(C=C(C=C34)C)OC)O)C5=C(C6=C(C=C(C=C6C(=C5)C7=C8C[C@H](NC(=C8C(=CC7=O)OC)C)C)C)OC)O
Structure:
CAS RN: 178062-99-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H48O12
MOLECULAR WEIGHT: 696.78052
SMILES: CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4(CC(=O)[C@@H](O4)CC(=O)C1)C)OC(=O)[C@@]56CC[C@@H](CC(=O)C[C@@H]7C(=O)C[C@@](O7)(C[C@H]([C@@H]5O6)OC3=O)C)C(=C)C
Structure:
CAS RN: 6956-53-2
CAS Name: N-[(E)-2-furanylmethylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-2-furylmethyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C11H9N3O2
MOLECULAR WEIGHT: 215.20806
SMILES: C1=COC(=C1)/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 13025-99-5
CAS Name: N-[(E)-pyridin-4-ylmethylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-4-pyridylmethyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-pyridin-4-ylmethylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-pyridin-4-ylmethylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: C1=CN=CC=C1/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 15017-31-9
CAS Name: N-[(E)-3-pyridinylmethylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-3-pyridylmethyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: C1=CC(=CN=C1)/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 15017-32-0
CAS Name: N-[(E)-2-pyridinylmethylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-2-pyridylmethyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: C1=CC=NC(=C1)/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 79728-82-8
CAS Name: N-[(E)-thiophen-2-ylmethylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-2-thienylmethyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C11H9N3OS
MOLECULAR WEIGHT: 231.27366
SMILES: C1=CSC(=C1)/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 24939-17-1
CAS Name: (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
OPENEYE Name: (1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
SYSTEMATIC NAME: (1E,6E)-1-(4-hydroxyphenyl)-7-(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
Structure:
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