CAS RN: 98400-69-2
CAS Name: 2-(4-phenylphenyl)-1H-indole
OPENEYE Name: 2-(4-phenylphenyl)-1H-indole
IUPAC Name: 2-(4-phenylphenyl)-1H-indole
SYSTEMATIC NAME: 2-(4-phenylphenyl)-1H-indole
MOLECULAR FORMULA: C20H15N
MOLECULAR WEIGHT: 269.3398
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N3
Structure:
CAS RN: 84358-13-4
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonylpiperidine-4-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O
Structure:
CAS RN: 85803-34-5
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonylpiperidine-4-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O
Structure:
CAS RN: 124443-68-1
CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester
OPENEYE Name: O1-tert-butyl O4-methyl piperidine-1,4-dicarboxylate
IUPAC Name: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O4-methyl piperidine-1,4-dicarboxylate
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC
Structure:
CAS RN: 40283-64-5
CAS Name: acetic acid (1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl) ester
OPENEYE Name: (1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl) acetate
IUPAC Name: (1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl) acetate
SYSTEMATIC NAME: [1,2,3,4-tetrakis(chloranyl)-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl] ethanoate
MOLECULAR FORMULA: C11H12Cl4O4
MOLECULAR WEIGHT: 350.02258
SMILES: CC(=O)OC1CC2(C(=C(C1(C2(OC)OC)Cl)Cl)Cl)Cl
Structure:
CAS RN: 155213-67-5
CAS Name: N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester
OPENEYE Name: thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
SYSTEMATIC NAME: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate
MOLECULAR FORMULA: C37H48N6O5S2
MOLECULAR WEIGHT: 720.94422
SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
Structure:
CAS RN: 164803-18-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H46N8O6S2
MOLECULAR WEIGHT: 762.94114
SMILES: C[C@@H]1[C@H]2C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CO4)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N[C@H](C(=N2)O1)C(C)C)CC6=CC=CC=C6)C(C)C)C(C)C
Structure:
CAS RN: 136025-63-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3=O)C(=C)C4)(C)C)O
Structure:
CAS RN: 13641-35-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3=O)C(=C)C4)(C)C)O
Structure:
CAS RN: 135683-73-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C
Structure:
CAS RN: 13597-84-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C
Structure:
CAS RN: 57309-85-0
CAS Name: (3R)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f][1]benzopyran-9,10-dione
OPENEYE Name: (3R)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
IUPAC Name: (3R)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
SYSTEMATIC NAME: (3R)-3-methyl-3-(4-methylpent-3-enyl)-7-oxidanyl-benzo[f]chromene-9,10-dione
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC(=CCC[C@@]1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C=C3O)C)C
Structure:
CAS RN: 6620-00-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)(C)C(=O)O
Structure:
CAS RN: 70324-42-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)C4=O)O)(C)C(=O)OC
Structure:
CAS RN: 66067-26-3
CAS Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chroman-4-one
IUPAC Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=CC(=CC(=C4C3=O)O)O)C
Structure:
CAS RN: 500536-41-4
CAS Name: 5',5'-dimethyl-6-nitro-3'-phenyl-2'-spiro[1-benzopyran-2,4'-oxazolidine]one
OPENEYE Name: 5',5'-dimethyl-6-nitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-one
IUPAC Name: 5,5-dimethyl-6'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one
SYSTEMATIC NAME: 5,5-dimethyl-6'-nitro-3-phenyl-spiro[1,3-oxazolidine-4,2'-chromene]-2-one
MOLECULAR FORMULA: C19H16N2O5
MOLECULAR WEIGHT: 352.34074
SMILES: CC1(C2(C=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C
Structure:
CAS RN: 514-07-8
CAS Name: (4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
OPENEYE Name: (4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
IUPAC Name: (4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
SYSTEMATIC NAME: (4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
MOLECULAR FORMULA: C30H48O
MOLECULAR WEIGHT: 424.70152
SMILES: C[C@]12CCC(C[C@@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C
Structure:
CAS RN: 55785-61-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20O5
MOLECULAR WEIGHT: 376.4019
SMILES: CC1(C=CC2=C(O1)C=CC3=C2C(=O)C4=C(C5=C(C=C4O3)OC(C=C5)(C)C)O)C
Structure:
CAS RN: 3717-41-7
CAS Name: N,N-dimethyl-1-adamantanamine oxide
OPENEYE Name: N,N-dimethyladamantan-1-amine oxide
IUPAC Name: N,N-dimethyladamantan-1-amine oxide
SYSTEMATIC NAME: N,N-dimethyladamantan-1-amine oxide
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: C[N+](C)(C12CC3CC(C1)CC(C3)C2)[O-]
Structure:
CAS RN: 13538-28-8
CAS Name: (2S,4R)-4-hydroxy-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4R)-1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4R)-4-oxidanyl-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C13H15NO5
MOLECULAR WEIGHT: 265.2619
SMILES: C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)O
Structure:
CAS RN: 55366-25-1
CAS Name: 2-oxo-3H-1,3-benzoxazole-6-carboxaldehyde
OPENEYE Name: 2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
IUPAC Name: 2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
SYSTEMATIC NAME: 2-oxidanylidene-3H-1,3-benzoxazole-6-carbaldehyde
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1=CC2=C(C=C1C=O)OC(=O)N2
Structure:
CAS RN: 54903-16-1
CAS Name: 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
OPENEYE Name: 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
IUPAC Name: 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-3H-1,3-benzoxazole-6-carboxylic acid
MOLECULAR FORMULA: C8H5NO4
MOLECULAR WEIGHT: 179.1296
SMILES: C1=CC2=C(C=C1C(=O)O)OC(=O)N2
Structure:
CAS RN: 203578-50-1
CAS Name: N-[4-[phenylmethoxycarbonyl-[3-[(phenylmethyl)amino]propyl]amino]butyl]-N-[3-[(phenylmethyl)amino]propyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-benzyloxycarbonyl-amino]butyl]carbamate
IUPAC Name: benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[4-[phenylmethoxycarbonyl-[3-[(phenylmethyl)amino]propyl]amino]butyl]-N-[3-[(phenylmethyl)amino]propyl]carbamate
MOLECULAR FORMULA: C40H50N4O4
MOLECULAR WEIGHT: 650.8494
SMILES: C1=CC=C(C=C1)CNCCCN(CCCCN(CCCNCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 8063-24-9
CAS Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; hydrochloride
OPENEYE Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; hydrochloride
IUPAC Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; hydrochloride
SYSTEMATIC NAME: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; hydrochloride
MOLECULAR FORMULA: C27H26Cl2N6
MOLECULAR WEIGHT: 505.44154
SMILES: C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.[Cl-]
Structure:
CAS RN: 2555-28-4
CAS Name: 7-methoxy-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-methoxy-4-methyl-chromen-2-one
IUPAC Name: 7-methoxy-4-methylchromen-2-one
SYSTEMATIC NAME: 7-methoxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC
Structure:
CAS RN: 114414-78-7
CAS Name: 5-methylindolo[2,3-b]quinoline
OPENEYE Name: 5-methylindolo[2,3-b]quinoline
IUPAC Name: 5-methylindolo[2,3-b]quinoline
SYSTEMATIC NAME: 5-methylindolo[2,3-b]quinoline
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43
Structure:
CAS RN: 151391-92-3
CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid methyl ester
OPENEYE Name: methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-benzoate
IUPAC Name: methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
SYSTEMATIC NAME: methyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]-2-oxidanyl-benzoate
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O
Structure:
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