CAS RN: 141726-24-1
CAS Name: 1-phenyl-7-nonyne-1,3-dione
OPENEYE Name: 1-phenylnon-7-yne-1,3-dione
IUPAC Name: 1-phenylnon-7-yne-1,3-dione
SYSTEMATIC NAME: 1-phenylnon-7-yne-1,3-dione
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: CC#CCCCC(=O)CC(=O)C1=CC=CC=C1
Structure:
CAS RN: 144288-50-6
CAS Name: 2-(aminomethyl)-3-pyridinamine
OPENEYE Name: 2-(aminomethyl)pyridin-3-amine
IUPAC Name: 2-(aminomethyl)pyridin-3-amine
SYSTEMATIC NAME: 2-(aminomethyl)pyridin-3-amine
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: C1=CC(=C(N=C1)CN)N
Structure:
CAS RN: 132995-76-7
CAS Name: 2-(2-morpholinyl)ethanol
OPENEYE Name: 2-morpholin-2-ylethanol
IUPAC Name: 2-morpholin-2-ylethanol
SYSTEMATIC NAME: 2-morpholin-2-ylethanol
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: C1COC(CN1)CCO
Structure:
CAS RN: 134161-12-9
CAS Name: 3-chloro-2-iodo-5-(trifluoromethyl)pyridine
OPENEYE Name: 3-chloro-2-iodo-5-(trifluoromethyl)pyridine
IUPAC Name: 3-chloro-2-iodo-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-chloranyl-2-iodanyl-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H2ClF3IN
MOLECULAR WEIGHT: 307.43946
SMILES: C1=C(C=NC(=C1Cl)I)C(F)(F)F
Structure:
CAS RN: 142009-99-2
CAS Name: 4-[(phenylmethyl)amino]-1-cyclohexanone
OPENEYE Name: 4-(benzylamino)cyclohexanone
IUPAC Name: 4-(benzylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-[(phenylmethyl)amino]cyclohexan-1-one
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: C1CC(=O)CCC1NCC2=CC=CC=C2
Structure:
CAS RN: 83833-15-2
CAS Name: disodium [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] phosphate
OPENEYE Name: disodium [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] phosphate
IUPAC Name: disodium [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
SYSTEMATIC NAME: disodium [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] phosphate
MOLECULAR FORMULA: C6H11Na2O9P
MOLECULAR WEIGHT: 304.099441
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+]
Structure:
CAS RN: 170212-28-9
CAS Name: (3Z,4R)-3-hexadecylidene-4-hydroxy-5-methylene-2-oxolanone
OPENEYE Name: (3Z,4R)-3-hexadecylidene-4-hydroxy-5-methylene-tetrahydrofuran-2-one
IUPAC Name: (3Z,4R)-3-hexadecylidene-4-hydroxy-5-methylideneoxolan-2-one
SYSTEMATIC NAME: (3Z,4R)-3-hexadecylidene-5-methylidene-4-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C21H36O3
MOLECULAR WEIGHT: 336.50874
SMILES: CCCCCCCCCCCCCCC/C=C\1/[C@H](C(=C)OC1=O)O
Structure:
CAS RN: 140712-79-4
CAS Name: N-[9-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]benzamide
OPENEYE Name: N-[9-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide
IUPAC Name: N-[9-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
SYSTEMATIC NAME: N-[9-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
MOLECULAR FORMULA: C38H35N5O6
MOLECULAR WEIGHT: 657.7144
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7
Structure:
CAS RN: 92169-45-4
CAS Name: 2-[[2-[[2-[[[1-[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
OPENEYE Name: 2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[2-[[2-[[1-[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C38H63N7O8
MOLECULAR WEIGHT: 745.94892
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C(CCCCN)N
Structure:
CAS RN: 128595-07-3
CAS Name: carbonic acid cyclopentyl (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: cyclopentyl (2,5-dioxopyrrolidin-1-yl) carbonate
IUPAC Name: cyclopentyl (2,5-dioxopyrrolidin-1-yl) carbonate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] cyclopentyl carbonate
MOLECULAR FORMULA: C10H13NO5
MOLECULAR WEIGHT: 227.21392
SMILES: C1CCC(C1)OC(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 13297-17-1
CAS Name: 7-[11-(4-iodophenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: 7-[11-(4-iodophenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: 7-[11-(4-iodophenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 7-[11-(4-iodanylphenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C35H49IO3
MOLECULAR WEIGHT: 644.66623
SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCCCOC5=CC=C(C=C5)I
Structure:
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