CAS RN: 93316-40-6
CAS Name: (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
OPENEYE Name: (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC Name: (3S)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: (3S)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C17H14NO3-
MOLECULAR WEIGHT: 280.29796
SMILES: C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)[O-]
Structure:
CAS RN: 93316-40-6
CAS Name: (3R)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
OPENEYE Name: (3R)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC Name: (3R)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: (3R)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C17H14NO3-
MOLECULAR WEIGHT: 280.29796
SMILES: C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)[O-]
Structure:
CAS RN: 42534-05-4
CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoate
OPENEYE Name: (2R)-4-methyl-2-ureido-pentanoate
IUPAC Name: (2R)-2-(carbamoylamino)-4-methylpentanoate
SYSTEMATIC NAME: (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate
MOLECULAR FORMULA: C7H13N2O3-
MOLECULAR WEIGHT: 173.18972
SMILES: CC(C)C[C@H](C(=O)[O-])NC(=O)N
Structure:
CAS RN: 42534-05-4
CAS Name: (2S)-2-(carbamoylamino)-4-methylpentanoate
OPENEYE Name: (2S)-4-methyl-2-ureido-pentanoate
IUPAC Name: (2S)-2-(carbamoylamino)-4-methylpentanoate
SYSTEMATIC NAME: (2S)-2-(aminocarbonylamino)-4-methyl-pentanoate
MOLECULAR FORMULA: C7H13N2O3-
MOLECULAR WEIGHT: 173.18972
SMILES: CC(C)C[C@@H](C(=O)[O-])NC(=O)N
Structure:
CAS RN: 343768-54-7
CAS Name: 2-[(3aR,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
OPENEYE Name: 2-[(3aR,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
IUPAC Name: 2-[(3aR,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3aR,6aS)-4,6-dimethyl-2,5-bis(oxidanylidene)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]ethanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: CN1[C@H]2[C@H](N(C1=O)C)N(C(=O)N2)CC(=O)[O-]
Structure:
CAS RN: 343768-54-7
CAS Name: 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
OPENEYE Name: 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
IUPAC Name: 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3aS,6aS)-4,6-dimethyl-2,5-bis(oxidanylidene)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]ethanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: CN1[C@H]2[C@@H](N(C1=O)C)N(C(=O)N2)CC(=O)[O-]
Structure:
CAS RN: 343768-54-7
CAS Name: 2-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
OPENEYE Name: 2-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
IUPAC Name: 2-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3aR,6aR)-4,6-dimethyl-2,5-bis(oxidanylidene)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]ethanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: CN1[C@@H]2[C@H](N(C1=O)C)N(C(=O)N2)CC(=O)[O-]
Structure:
CAS RN: 343768-54-7
CAS Name: 2-[(3aS,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
OPENEYE Name: 2-[(3aS,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
IUPAC Name: 2-[(3aS,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3aS,6aR)-4,6-dimethyl-2,5-bis(oxidanylidene)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]ethanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: CN1[C@@H]2[C@@H](N(C1=O)C)N(C(=O)N2)CC(=O)[O-]
Structure:
CAS RN: 436088-45-8
CAS Name: 4-(5-formyl-2-furanyl)-2-hydroxybenzoate
OPENEYE Name: 4-(5-formyl-2-furyl)-2-hydroxy-benzoate
IUPAC Name: 4-(5-formylfuran-2-yl)-2-hydroxybenzoate
SYSTEMATIC NAME: 4-(5-methanoylfuran-2-yl)-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H7O5-
MOLECULAR WEIGHT: 231.18098
SMILES: C1=CC(=C(C=C1C2=CC=C(O2)C=O)O)C(=O)[O-]
Structure:
CAS RN: 370585-14-1
CAS Name: 4-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
OPENEYE Name: 4-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
IUPAC Name: 4-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
SYSTEMATIC NAME: 4-[(3aS,6aS)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: C(CC(=O)[O-])CN1[C@H]2[C@@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 370585-14-1
CAS Name: 4-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
OPENEYE Name: 4-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
IUPAC Name: 4-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
SYSTEMATIC NAME: 4-[(3aS,6aR)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: C(CC(=O)[O-])CN1[C@H]2[C@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 370585-14-1
CAS Name: 4-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
OPENEYE Name: 4-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
IUPAC Name: 4-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
SYSTEMATIC NAME: 4-[(3aR,6aS)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: C(CC(=O)[O-])CN1[C@@H]2[C@@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 370585-14-1
CAS Name: 4-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
OPENEYE Name: 4-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
IUPAC Name: 4-[(3aR,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
SYSTEMATIC NAME: 4-[(3aR,6aR)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoate
MOLECULAR FORMULA: C8H11N4O4-
MOLECULAR WEIGHT: 227.19734
SMILES: C(CC(=O)[O-])CN1[C@@H]2[C@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 435345-12-3
CAS Name: cyclohexyl(3-furanylmethyl)ammonium
OPENEYE Name: cyclohexyl(3-furylmethyl)ammonium
IUPAC Name: cyclohexyl(furan-3-ylmethyl)azanium
SYSTEMATIC NAME: cyclohexyl(furan-3-ylmethyl)azanium
MOLECULAR FORMULA: C11H18NO+
MOLECULAR WEIGHT: 180.26672
SMILES: C1CCC(CC1)[NH2+]CC2=COC=C2
Structure:
CAS RN: 425646-58-8
CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylammonium
OPENEYE Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-ammonium
IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylazanium
SYSTEMATIC NAME: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-azanium
MOLECULAR FORMULA: C16H25N2O3+
MOLECULAR WEIGHT: 293.3813
SMILES: COC1=C(C=CC(=C1)C[NH2+]C2CCCCC2)OCC(=O)N
Structure:
CAS RN: 35525-86-1
CAS Name: (4-cyanophenyl)methyl-dimethylammonium
OPENEYE Name: (4-cyanophenyl)methyl-dimethyl-ammonium
IUPAC Name: (4-cyanophenyl)methyl-dimethylazanium
SYSTEMATIC NAME: (4-cyanophenyl)methyl-dimethyl-azanium
MOLECULAR FORMULA: C10H13N2+
MOLECULAR WEIGHT: 161.22362
SMILES: C[NH+](C)CC1=CC=C(C=C1)C#N
Structure:
CAS RN: 18364-71-1
CAS Name: 4-[(dimethylammonio)methyl]benzoate
OPENEYE Name: 4-[(dimethylammonio)methyl]benzoate
IUPAC Name: 4-[(dimethylazaniumyl)methyl]benzoate
SYSTEMATIC NAME: 4-[(dimethylazaniumyl)methyl]benzoate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C[NH+](C)CC1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 6345-67-1
CAS Name: 5-nitro-2-(phenylthio)benzoate
OPENEYE Name: 5-nitro-2-phenylsulfanyl-benzoate
IUPAC Name: 5-nitro-2-phenylsulfanylbenzoate
SYSTEMATIC NAME: 5-nitro-2-phenylsulfanyl-benzoate
MOLECULAR FORMULA: C13H8NO4S-
MOLECULAR WEIGHT: 274.27192
SMILES: C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]
Structure:
CAS RN: 436811-17-5
CAS Name: (2R,3S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-hydroxybutanoate
OPENEYE Name: (2R,3S)-2-[(4-ethoxybenzoyl)amino]-3-hydroxy-butanoate
IUPAC Name: (2R,3S)-2-[(4-ethoxybenzoyl)amino]-3-hydroxybutanoate
SYSTEMATIC NAME: (2R,3S)-2-[(4-ethoxyphenyl)carbonylamino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H16NO5-
MOLECULAR WEIGHT: 266.26984
SMILES: CCOC1=CC=C(C=C1)C(=O)N[C@H]([C@H](C)O)C(=O)[O-]
Structure:
CAS RN: 436811-17-5
CAS Name: (2S,3S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-hydroxybutanoate
OPENEYE Name: (2S,3S)-2-[(4-ethoxybenzoyl)amino]-3-hydroxy-butanoate
IUPAC Name: (2S,3S)-2-[(4-ethoxybenzoyl)amino]-3-hydroxybutanoate
SYSTEMATIC NAME: (2S,3S)-2-[(4-ethoxyphenyl)carbonylamino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H16NO5-
MOLECULAR WEIGHT: 266.26984
SMILES: CCOC1=CC=C(C=C1)C(=O)N[C@@H]([C@H](C)O)C(=O)[O-]
Structure:
CAS RN: 436811-17-5
CAS Name: (2R,3R)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-hydroxybutanoate
OPENEYE Name: (2R,3R)-2-[(4-ethoxybenzoyl)amino]-3-hydroxy-butanoate
IUPAC Name: (2R,3R)-2-[(4-ethoxybenzoyl)amino]-3-hydroxybutanoate
SYSTEMATIC NAME: (2R,3R)-2-[(4-ethoxyphenyl)carbonylamino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H16NO5-
MOLECULAR WEIGHT: 266.26984
SMILES: CCOC1=CC=C(C=C1)C(=O)N[C@H]([C@@H](C)O)C(=O)[O-]
Structure:
CAS RN: 436811-17-5
CAS Name: (2S,3R)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-hydroxybutanoate
OPENEYE Name: (2S,3R)-2-[(4-ethoxybenzoyl)amino]-3-hydroxy-butanoate
IUPAC Name: (2S,3R)-2-[(4-ethoxybenzoyl)amino]-3-hydroxybutanoate
SYSTEMATIC NAME: (2S,3R)-2-[(4-ethoxyphenyl)carbonylamino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H16NO5-
MOLECULAR WEIGHT: 266.26984
SMILES: CCOC1=CC=C(C=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)[O-]
Structure:
CAS RN: 53266-48-1
CAS Name: 2-(2-carboxylato-1-oxoethyl)benzoate
OPENEYE Name: 2-(2-carboxylatoacetyl)benzoate
IUPAC Name: 2-(2-carboxylatoacetyl)benzoate
SYSTEMATIC NAME: 2-(3-oxidanidyl-3-oxidanylidene-propanoyl)benzoate
MOLECULAR FORMULA: C10H6O5-2
MOLECULAR WEIGHT: 206.15164
SMILES: C1=CC=C(C(=C1)C(=O)CC(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 6169-92-2
CAS Name: 4-oxophenalene-1,9-dicarboxylate
OPENEYE Name: 4-oxophenalene-1,9-dicarboxylate
IUPAC Name: 4-oxophenalene-1,9-dicarboxylate
SYSTEMATIC NAME: 4-oxidanylidenephenalene-1,9-dicarboxylate
MOLECULAR FORMULA: C15H6O5-2
MOLECULAR WEIGHT: 266.20514
SMILES: C1=CC(=C2C(=CC=C3C2=C1C=CC3=O)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 93323-67-2
CAS Name: 2-(3,5-diphenyl-1-pyrazolyl)acetate
OPENEYE Name: 2-(3,5-diphenylpyrazol-1-yl)acetate
IUPAC Name: 2-(3,5-diphenylpyrazol-1-yl)acetate
SYSTEMATIC NAME: 2-(3,5-diphenylpyrazol-1-yl)ethanoate
MOLECULAR FORMULA: C17H13N2O2-
MOLECULAR WEIGHT: 277.29732
SMILES: C1=CC=C(C=C1)C2=CC(=NN2CC(=O)[O-])C3=CC=CC=C3
Structure:
CAS RN: 357420-38-3
CAS Name: 2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoate
OPENEYE Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]benzoate
IUPAC Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]benzoate
SYSTEMATIC NAME: 2-[(2,5-dimethylfuran-3-yl)carbonylamino]benzoate
MOLECULAR FORMULA: C14H12NO4-
MOLECULAR WEIGHT: 258.24938
SMILES: CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2C(=O)[O-]
Structure:
CAS RN: 436087-13-7
CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]acetate
OPENEYE Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetate
IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
SYSTEMATIC NAME: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoate
MOLECULAR FORMULA: C9H14NO3S-
MOLECULAR WEIGHT: 216.27736
SMILES: C1CCN(CC1)C(=O)CSCC(=O)[O-]
Structure:
CAS RN: 436087-11-5
CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]acetate
OPENEYE Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetate
IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetate
SYSTEMATIC NAME: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate
MOLECULAR FORMULA: C10H16NO3S-
MOLECULAR WEIGHT: 230.30394
SMILES: CC1CCN(CC1)C(=O)CSCC(=O)[O-]
Structure:
CAS RN: 436088-74-3
CAS Name: 5-oxo-5-[2-(1-pyrrolidinyl)anilino]pentanoate
OPENEYE Name: 5-oxo-5-(2-pyrrolidin-1-ylanilino)pentanoate
IUPAC Name: 5-oxo-5-(2-pyrrolidin-1-ylanilino)pentanoate
SYSTEMATIC NAME: 5-oxidanylidene-5-[(2-pyrrolidin-1-ylphenyl)amino]pentanoate
MOLECULAR FORMULA: C15H19N2O3-
MOLECULAR WEIGHT: 275.32296
SMILES: C1CCN(C1)C2=CC=CC=C2NC(=O)CCCC(=O)[O-]
Structure:
CAS RN: 436088-56-1
CAS Name: 5-oxo-5-[2-(1-piperidinyl)anilino]pentanoate
OPENEYE Name: 5-oxo-5-[2-(1-piperidyl)anilino]pentanoate
IUPAC Name: 5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
SYSTEMATIC NAME: 5-oxidanylidene-5-[(2-piperidin-1-ylphenyl)amino]pentanoate
MOLECULAR FORMULA: C16H21N2O3-
MOLECULAR WEIGHT: 289.34954
SMILES: C1CCN(CC1)C2=CC=CC=C2NC(=O)CCCC(=O)[O-]
Structure:
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