CAS RN: 1025720-94-8
CAS Name: N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-3-pyridinecarboxamide
OPENEYE Name: N-[4-[(2-amino-3-chloro-4-pyridyl)oxy]-3-fluoro-phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-pyridine-3-carboxamide
IUPAC Name: N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SYSTEMATIC NAME: N-[4-(2-azanyl-3-chloranyl-pyridin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide
MOLECULAR FORMULA: C25H19ClF2N4O4
MOLECULAR WEIGHT: 512.892566
SMILES: CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
Structure:
CAS RN: 142-10-9
CAS Name: [(2R)-2-hydroxy-3-oxopropyl] phosphate
OPENEYE Name: [(2R)-2-hydroxy-3-oxo-propyl] phosphate
IUPAC Name: [(2R)-2-hydroxy-3-oxopropyl] phosphate
SYSTEMATIC NAME: [(2R)-2-oxidanyl-3-oxidanylidene-propyl] phosphate
MOLECULAR FORMULA: C3H5O6P-2
MOLECULAR WEIGHT: 168.041961
SMILES: C([C@H](C=O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 189083-81-6
CAS Name: (6-bromo-2-pyridinyl)-tributylstannane
OPENEYE Name: (6-bromo-2-pyridyl)-tributyl-stannane
IUPAC Name: (6-bromopyridin-2-yl)-tributylstannane
SYSTEMATIC NAME: (6-bromanylpyridin-2-yl)-tributyl-stannane
MOLECULAR FORMULA: C17H30BrNSn
MOLECULAR WEIGHT: 447.0408
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=N1)Br
Structure:
CAS RN: 1006589-03-2
CAS Name: 2-chloro-4-(1H-imidazol-2-yl)pyridine
OPENEYE Name: 2-chloro-4-(1H-imidazol-2-yl)pyridine
IUPAC Name: 2-chloro-4-(1H-imidazol-2-yl)pyridine
SYSTEMATIC NAME: 2-chloranyl-4-(1H-imidazol-2-yl)pyridine
MOLECULAR FORMULA: C8H6ClN3
MOLECULAR WEIGHT: 179.60634
SMILES: C1=CN=C(C=C1C2=NC=CN2)Cl
Structure:
CAS RN: 832720-36-2
CAS Name: sodium 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-1-pyrimidinyl]-1-phenylethyl]amino]butanoate
OPENEYE Name: sodium 4-[[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate
IUPAC Name: sodium 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate
SYSTEMATIC NAME: sodium 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate
MOLECULAR FORMULA: C32H29F5N3NaO5
MOLECULAR WEIGHT: 653.571546
SMILES: CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)[O-])C4=C(C(=CC=C4)OC)F.[Na+]
Structure:
CAS RN: 474793-41-4
CAS Name: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]pyrimidine-2,4-diamine; methanesulfonic acid
OPENEYE Name: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; methanesulfonic acid
IUPAC Name: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; methanesulfonic acid
SYSTEMATIC NAME: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; methanesulfonic acid
MOLECULAR FORMULA: C20H26N4O6S
MOLECULAR WEIGHT: 450.50864
SMILES: COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC.CS(=O)(=O)O
Structure:
CAS RN: 156154-37-9
CAS Name: potassium; [2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]methanol; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
OPENEYE Name: potassium; [2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
IUPAC Name: potassium; [2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
SYSTEMATIC NAME: potassium; [2-butyl-5-chloranyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol; 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
MOLECULAR FORMULA: C29H30Cl2KN9O5S2
MOLECULAR WEIGHT: 758.7401
SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.[K+]
Structure:
CAS RN: 949935-06-2
CAS Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]pyrrole-2,5-dione
OPENEYE Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
IUPAC Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: ethanoic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C27H26N6O4
MOLECULAR WEIGHT: 498.53314
SMILES: CC(=O)O.CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
Structure:
CAS RN: 908351-31-5
CAS Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]pyrrole-2,5-dione
OPENEYE Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
IUPAC Name: acetic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: ethanoic acid; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C27H26N6O4
MOLECULAR WEIGHT: 498.53314
SMILES: CC(=O)O.CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65
Structure:
CAS RN: 37806-45-4
CAS Name: (4-butan-2-yloxyphenyl)methanamine
OPENEYE Name: (4-sec-butoxyphenyl)methanamine
IUPAC Name: (4-butan-2-yloxyphenyl)methanamine
SYSTEMATIC NAME: (4-butan-2-yloxyphenyl)methanamine
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CCC(C)OC1=CC=C(C=C1)CN
Structure:
CAS RN: 1003856-43-6
CAS Name: 1-(benzenesulfonyl)-3,4-dibromopyrrole
OPENEYE Name: 1-(benzenesulfonyl)-3,4-dibromo-pyrrole
IUPAC Name: 1-(benzenesulfonyl)-3,4-dibromopyrrole
SYSTEMATIC NAME: 3,4-bis(bromanyl)-1-(phenylsulfonyl)pyrrole
MOLECULAR FORMULA: C10H7Br2NO2S
MOLECULAR WEIGHT: 365.04108
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)Br)Br
Structure:
CAS RN: 1009630-24-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H16ClN3O
MOLECULAR WEIGHT: 421.87774
SMILES: CC1=NN(C2=NC3=C(C(=C12)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C53)C6=CC=CC=C6
Structure:
CAS RN: 398507-81-8
CAS Name: N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[(2-oxo-3-azepanyl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
OPENEYE Name: N-[(E,1R)-1-[(3,4-dichlorophenyl)methyl]-4-oxo-4-[(2-oxoazepan-3-yl)amino]but-2-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
IUPAC Name: N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[(2-oxoazepan-3-yl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxidanylidene-5-[(2-oxidanylideneazepan-3-yl)amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C27H25Cl2F6N3O3
MOLECULAR WEIGHT: 624.402119
SMILES: CN([C@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C(=O)NC2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 949461-91-0
CAS Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
OPENEYE Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
SYSTEMATIC NAME: (3R,4S,5R)-3,4,5-tris(oxidanyl)cyclohexane-1,2-dione
MOLECULAR FORMULA: C6H8O5
MOLECULAR WEIGHT: 160.12472
SMILES: C1[C@H]([C@@H]([C@H](C(=O)C1=O)O)O)O
Structure:
CAS RN: 83732-55-2
CAS Name: 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoic acid methyl ester
OPENEYE Name: methyl 3-[isopropyl-(3-methoxy-3-oxo-propyl)amino]propanoate
IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)-propan-2-ylamino]propanoate
SYSTEMATIC NAME: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)-propan-2-yl-amino]propanoate
MOLECULAR FORMULA: C11H21NO4
MOLECULAR WEIGHT: 231.28874
SMILES: CC(C)N(CCC(=O)OC)CCC(=O)OC
Structure:
CAS RN: 960114-13-0
CAS Name: 2-(4-methoxycarbonyl-3-pyridinyl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(4-methoxycarbonyl-3-pyridyl)propanedioate
IUPAC Name: dimethyl 2-(4-methoxycarbonylpyridin-3-yl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(4-methoxycarbonylpyridin-3-yl)propanedioate
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: COC(=O)C1=C(C=NC=C1)C(C(=O)OC)C(=O)OC
Structure:
CAS RN: 1005386-84-4
CAS Name: 5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: COC1=CC(=C(C=C1)C2=CNC(=O)NC2=O)OC
Structure:
CAS RN: 23187-14-6
CAS Name: 3-methyl-1H-imidazol-3-ium chloride
OPENEYE Name: 3-methyl-1H-imidazol-3-ium chloride
IUPAC Name: 3-methyl-1H-imidazol-3-ium chloride
SYSTEMATIC NAME: 3-methyl-1H-imidazol-3-ium chloride
MOLECULAR FORMULA: C4H7ClN2
MOLECULAR WEIGHT: 118.56478
SMILES: C[N+]1=CNC=C1.[Cl-]
Structure:
CAS RN: 27849-89-4
CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; chromium-51
OPENEYE Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; chromium-51
IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; chromium-51
SYSTEMATIC NAME: 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; chromium-51
MOLECULAR FORMULA: C10H16CrN2O8
MOLECULAR WEIGHT: 343.187412
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[51Cr]
Structure:
CAS RN: 992-21-2
CAS Name: (2S)-6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methylamino]-2-aminohexanoic acid
OPENEYE Name: (2S)-6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methylamino]-2-amino-hexanoic acid
IUPAC Name: (2S)-6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methylamino]-2-aminohexanoic acid
SYSTEMATIC NAME: (2S)-6-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methylamino]-2-azanyl-hexanoic acid
MOLECULAR FORMULA: C29H38N4O10
MOLECULAR WEIGHT: 602.63282
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\NCNCCCC[C@@H](C(=O)O)N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
Structure:
CAS RN: 951163-61-4
CAS Name: N-[(3S,5S)-5-methyl-3-piperidinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3S,5S)-5-methyl-3-piperidyl]carbamate
IUPAC Name: tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: C[C@H]1C[C@@H](CNC1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 895152-66-6
CAS Name: 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
OPENEYE Name: 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
IUPAC Name: 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SYSTEMATIC NAME: 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
MOLECULAR FORMULA: C16H19NO
MOLECULAR WEIGHT: 241.32816
SMILES: CC1(C(C1(C)C)C(=O)C2=CNC3=CC=CC=C32)C
Structure:
CAS RN: 887703-73-3
CAS Name: 1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3,5-dicarboxylic acid O3-methyl ester O5-(phenylmethyl) ester
OPENEYE Name: O5-benzyl O3-methyl 1-(4-fluorophenyl)-4-isopropyl-pyrazole-3,5-dicarboxylate
IUPAC Name: 5-O-benzyl 3-O-methyl 1-(4-fluorophenyl)-4-propan-2-ylpyrazole-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-(phenylmethyl) 1-(4-fluorophenyl)-4-propan-2-yl-pyrazole-3,5-dicarboxylate
MOLECULAR FORMULA: C22H21FN2O4
MOLECULAR WEIGHT: 396.411543
SMILES: CC(C)C1=C(N(N=C1C(=O)OC)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 635724-55-9
CAS Name: butanedioic acid; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
OPENEYE Name: (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; succinic acid
IUPAC Name: butanedioic acid; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
SYSTEMATIC NAME: butanedioic acid; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine
MOLECULAR FORMULA: C23H29NO7
MOLECULAR WEIGHT: 431.47886
SMILES: CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 648420-92-2
CAS Name: ammonia; 2-[[[4-carboxy-4-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]butyl]amino]-oxomethyl]benzoic acid
OPENEYE Name: ammonia; 2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
IUPAC Name: azane; 2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: azane; 2-[[4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C27H30N10O6
MOLECULAR WEIGHT: 590.5905
SMILES: C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O.N
Structure:
CAS RN: 1009820-21-6
CAS Name: 5-(3-chloroanilino)-8-benzo[c][2,6]naphthyridinecarboxylic acid
OPENEYE Name: 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
IUPAC Name: 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SYSTEMATIC NAME: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
MOLECULAR FORMULA: C19H12ClN3O2
MOLECULAR WEIGHT: 349.77048
SMILES: C1=CC(=CC(=C1)Cl)NC2=C3C=CN=CC3=C4C=CC(=CC4=N2)C(=O)O
Structure:
CAS RN: 14215-30-6
CAS Name: copper diazide
OPENEYE Name: copper diazide
IUPAC Name: copper diazide
SYSTEMATIC NAME: copper diazide
MOLECULAR FORMULA: CuN6
MOLECULAR WEIGHT: 147.5862
SMILES: [N-]=[N+]=[N-].[N-]=[N+]=[N-].[Cu+2]
Structure:
CAS RN: 889949-18-2
CAS Name: 3-amino-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-azanyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)N1CCC(C1)(CO)N
Structure:
CAS RN: 862372-66-5
CAS Name: 3-amino-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: 3-amino-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylic acid
IUPAC Name: 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)N
Structure:
CAS RN: 886362-36-3
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-phenylmethoxycarbonyl-3-piperidinyl)propanoic acid
OPENEYE Name: 3-(1-benzyloxycarbonyl-3-piperidyl)-3-(tert-butoxycarbonylamino)propanoic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-3-yl)propanoic acid
MOLECULAR FORMULA: C21H30N2O6
MOLECULAR WEIGHT: 406.4727
SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 887981-91-1
CAS Name: 6-(2-furanyl)-2-pyridinecarboxylic acid
OPENEYE Name: 6-(2-furyl)pyridine-2-carboxylic acid
IUPAC Name: 6-(furan-2-yl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-(furan-2-yl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC(=NC(=C1)C(=O)O)C2=CC=CO2
Structure:
CAS RN: 372144-09-7
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-piperidinyl)propanoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-3-(3-piperidyl)propanoic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-3-ylpropanoic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-3-yl-propanoic acid
MOLECULAR FORMULA: C13H24N2O4
MOLECULAR WEIGHT: 272.34066
SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1CCCNC1
Structure:
CAS RN: 372144-03-1
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-piperidinyl)propanoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-3-(4-piperidyl)propanoic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-yl-propanoic acid
MOLECULAR FORMULA: C13H24N2O4
MOLECULAR WEIGHT: 272.34066
SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1
Structure:
CAS RN: 368866-17-5
CAS Name: 3-amino-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid
OPENEYE Name: 3-amino-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid
IUPAC Name: 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C11H20N2O4
MOLECULAR WEIGHT: 244.2875
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)N
Structure:
CAS RN: 942920-50-5
CAS Name: 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 4-bromanyl-6-chloranyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CNC2=C1C(=CC(=N2)Cl)Br
Structure:
CAS RN: 5912-18-5
CAS Name: 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4Cl2N2
MOLECULAR WEIGHT: 187.02606
SMILES: C1=CNC2=C1C(=CC(=N2)Cl)Cl
Structure:
CAS RN: 1000340-39-5
CAS Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 3-bromanyl-4-chloranyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4BrClN2
MOLECULAR WEIGHT: 231.47706
SMILES: C1=CN=C2C(=C1Cl)C(=CN2)Br
Structure:
CAS RN: 958357-86-3
CAS Name: 5-bromo-3-iodo-6-methyl-2-pyridinamine
OPENEYE Name: 5-bromo-3-iodo-6-methyl-pyridin-2-amine
IUPAC Name: 5-bromo-3-iodo-6-methylpyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-3-iodanyl-6-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H6BrIN2
MOLECULAR WEIGHT: 312.93371
SMILES: CC1=NC(=C(C=C1Br)I)N
Structure:
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