CAS RN: 57153-00-1
CAS Name: (3R,4S)-1-methyl-4-phenyl-3-piperidinecarboxylic acid propyl ester hydrobromide
OPENEYE Name: propyl (3R,4S)-1-methyl-4-phenyl-piperidine-3-carboxylate hydrobromide
IUPAC Name: propyl (3R,4S)-1-methyl-4-phenylpiperidine-3-carboxylate hydrobromide
SYSTEMATIC NAME: propyl (3R,4S)-1-methyl-4-phenyl-piperidine-3-carboxylate hydrobromide
MOLECULAR FORMULA: C16H24BrNO2
MOLECULAR WEIGHT: 342.27126
SMILES: CCCOC(=O)[C@H]1CN(CC[C@@H]1C2=CC=CC=C2)C.Br
Structure:
CAS RN: 57152-58-6
CAS Name: (4S)-N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine
OPENEYE Name: (4S)-N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine
IUPAC Name: (4S)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SYSTEMATIC NAME: (4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
MOLECULAR FORMULA: C15H21N3O
MOLECULAR WEIGHT: 259.34674
SMILES: C[C@@H](CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 57152-56-4
CAS Name: (4R)-N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine
OPENEYE Name: (4R)-N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine
IUPAC Name: (4R)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SYSTEMATIC NAME: (4R)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
MOLECULAR FORMULA: C15H21N3O
MOLECULAR WEIGHT: 259.34674
SMILES: C[C@H](CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 57151-31-2
CAS Name: 1-(2-methoxyphenyl)-4-[2-(4-methylphenyl)-1-phenylethyl]piperazine
OPENEYE Name: 1-(2-methoxyphenyl)-4-[1-phenyl-2-(p-tolyl)ethyl]piperazine
IUPAC Name: 1-(2-methoxyphenyl)-4-[2-(4-methylphenyl)-1-phenylethyl]piperazine
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-4-[2-(4-methylphenyl)-1-phenyl-ethyl]piperazine
MOLECULAR FORMULA: C26H30N2O
MOLECULAR WEIGHT: 386.5292
SMILES: CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC
Structure:
CAS RN: 57150-48-8
CAS Name: 1-(4-methyl-1-piperazinyl)-1-octanone
OPENEYE Name: 1-(4-methylpiperazin-1-yl)octan-1-one
IUPAC Name: 1-(4-methylpiperazin-1-yl)octan-1-one
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)octan-1-one
MOLECULAR FORMULA: C13H26N2O
MOLECULAR WEIGHT: 226.35834
SMILES: CCCCCCCC(=O)N1CCN(CC1)C
Structure:
CAS RN: 57150-47-7
CAS Name: 1-(4-methyl-1-piperazinyl)-1-heptanone
OPENEYE Name: 1-(4-methylpiperazin-1-yl)heptan-1-one
IUPAC Name: 1-(4-methylpiperazin-1-yl)heptan-1-one
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)heptan-1-one
MOLECULAR FORMULA: C12H24N2O
MOLECULAR WEIGHT: 212.33176
SMILES: CCCCCCC(=O)N1CCN(CC1)C
Structure:
CAS RN: 57147-33-8
CAS Name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
OPENEYE Name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
IUPAC Name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SYSTEMATIC NAME: 5-ethyl-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C#N
Structure:
CAS RN: 57144-98-6
CAS Name: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
OPENEYE Name: 2-(2-methylindan-5-yl)propanoic acid
IUPAC Name: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SYSTEMATIC NAME: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC1CC2=C(C1)C=C(C=C2)C(C)C(=O)O
Structure:
CAS RN: 57144-89-5
CAS Name: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)acetic acid
OPENEYE Name: 2-(2-methylindan-5-yl)acetic acid
IUPAC Name: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)acetic acid
SYSTEMATIC NAME: 2-(2-methyl-2,3-dihydro-1H-inden-5-yl)ethanoic acid
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CC1CC2=C(C1)C=C(C=C2)CC(=O)O
Structure:
CAS RN: 57120-86-2
CAS Name: (3R,9aR)-3-(4-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
OPENEYE Name: (3R,9aR)-3-(4-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
IUPAC Name: (3R,9aR)-3-(4-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SYSTEMATIC NAME: (3R,9aR)-3-(4-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: COC1=CC=C(C=C1)[C@@]2(CC[C@H]3CCCCN3C2)O
Structure:
CAS RN: 57120-85-1
CAS Name: (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
OPENEYE Name: (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
IUPAC Name: (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SYSTEMATIC NAME: (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: COC1=CC=CC(=C1)[C@@]2(CC[C@H]3CCCCN3C2)O
Structure:
CAS RN: 57120-84-0
CAS Name: (3R,9aR)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
OPENEYE Name: (3R,9aR)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
IUPAC Name: (3R,9aR)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SYSTEMATIC NAME: (3R,9aR)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: C1CCN2C[C@@](CC[C@H]2C1)(C3=CC=CC=C3)O
Structure:
CAS RN: 57105-66-5
CAS Name: phosphoric acid dibutyl 1-dibutoxyphosphorylbutyl ester
OPENEYE Name: dibutyl 1-dibutoxyphosphorylbutyl phosphate
IUPAC Name: dibutyl 1-dibutoxyphosphorylbutyl phosphate
SYSTEMATIC NAME: dibutyl 1-dibutoxyphosphorylbutyl phosphate
MOLECULAR FORMULA: C20H44O7P2
MOLECULAR WEIGHT: 458.506682
SMILES: CCCCOP(=O)(C(CCC)OP(=O)(OCCCC)OCCCC)OCCCC
Structure:
CAS RN: 57105-65-4
CAS Name: 1-(4-chlorophenyl)-3-prop-2-ynylurea
OPENEYE Name: 1-(4-chlorophenyl)-3-prop-2-ynyl-urea
IUPAC Name: 1-(4-chlorophenyl)-3-prop-2-ynylurea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-prop-2-ynyl-urea
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: C#CCNC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 57105-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14N2O5S
MOLECULAR WEIGHT: 274.29356
SMILES: CN(C)S(=O)(=O)N1C(=O)C2C3CCC(C2C1=O)O3
Structure:
CAS RN: 57105-58-5
CAS Name: 3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
OPENEYE Name: 3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC Name: 3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SYSTEMATIC NAME: 3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H12O5
MOLECULAR WEIGHT: 200.18858
SMILES: COC(=O)C1C2CCC(C1C(=O)O)O2
Structure:
CAS RN: 57081-58-0
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanoate
MOLECULAR FORMULA: C24H23ClN4O5
MOLECULAR WEIGHT: 482.91622
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)COC3=CC=C(C=C3)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 57081-47-7
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
OPENEYE Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanamide
IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
SYSTEMATIC NAME: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanamide
MOLECULAR FORMULA: C17H18ClNO2
MOLECULAR WEIGHT: 303.78332
SMILES: CC(C)(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 57081-46-6
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetamide
OPENEYE Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetamide
IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanamide
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)OCC(=O)N
Structure:
CAS RN: 57081-44-4
CAS Name: 2,2-dimethylpropanoic acid [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-1-oxopropoxy]methyl ester
OPENEYE Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoyl]oxymethyl 2,2-dimethylpropanoate
IUPAC Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoyl]oxymethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoyl]oxymethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C23H27ClO5
MOLECULAR WEIGHT: 418.91048
SMILES: CC(C)(C)C(=O)OCOC(=O)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 57081-42-2
CAS Name: 2,2-dimethylpropanoic acid [2-[4-[(4-chlorophenyl)methyl]phenoxy]-1-oxoethoxy]methyl ester
OPENEYE Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxymethyl 2,2-dimethylpropanoate
IUPAC Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxymethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanoyloxymethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C21H23ClO5
MOLECULAR WEIGHT: 390.85732
SMILES: CC(C)(C)C(=O)OCOC(=O)COC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 57081-41-1
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
MOLECULAR FORMULA: C26H27ClN4O5
MOLECULAR WEIGHT: 510.96938
SMILES: CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 57081-40-0
CAS Name: 3-pyridinecarboxylic acid 2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]-1-oxoethoxy]ethyl ester
OPENEYE Name: 2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxyethyl pyridine-3-carboxylate
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxyethyl pyridine-3-carboxylate
SYSTEMATIC NAME: 2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanoyloxy]ethyl pyridine-3-carboxylate
MOLECULAR FORMULA: C23H20ClNO5
MOLECULAR WEIGHT: 425.8616
SMILES: C1=CC(=CN=C1)C(=O)OCCOC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 57081-39-7
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid (2-oxo-1,3-dihydroindol-3-yl) ester
OPENEYE Name: (2-oxoindolin-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
IUPAC Name: (2-oxo-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SYSTEMATIC NAME: (2-oxidanylidene-1,3-dihydroindol-3-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
MOLECULAR FORMULA: C25H22ClNO4
MOLECULAR WEIGHT: 435.89948
SMILES: CC(C)(C(=O)OC1C2=CC=CC=C2NC1=O)OC3=CC=C(C=C3)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 57081-38-6
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid 3-pyridinylmethyl ester hydrochloride
OPENEYE Name: 3-pyridylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate hydrochloride
IUPAC Name: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate hydrochloride
SYSTEMATIC NAME: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate hydrochloride
MOLECULAR FORMULA: C23H23Cl2NO3
MOLECULAR WEIGHT: 432.33962
SMILES: CC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.Cl
Structure:
CAS RN: 57081-36-4
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid 2-[methyl-(phenylmethyl)amino]ethyl ester
OPENEYE Name: 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
IUPAC Name: 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SYSTEMATIC NAME: 2-[methyl-(phenylmethyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
MOLECULAR FORMULA: C27H30ClNO3
MOLECULAR WEIGHT: 451.985
SMILES: CC(C)(C(=O)OCCN(C)CC1=CC=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 57081-35-3
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetic acid 2-[methyl-(phenylmethyl)amino]ethyl ester hydrochloride
OPENEYE Name: 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate hydrochloride
IUPAC Name: 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate hydrochloride
SYSTEMATIC NAME: 2-[methyl-(phenylmethyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanoate hydrochloride
MOLECULAR FORMULA: C25H27Cl2NO3
MOLECULAR WEIGHT: 460.39278
SMILES: CN(CCOC(=O)COC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.Cl
Structure:
CAS RN: 57081-33-1
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
IUPAC Name: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
SYSTEMATIC NAME: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-propanoate
MOLECULAR FORMULA: C22H25ClO3
MOLECULAR WEIGHT: 372.8851
SMILES: CC(C)(C(=O)OC1CCCC1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 57081-30-8
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
IUPAC Name: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
SYSTEMATIC NAME: cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]ethanoate
MOLECULAR FORMULA: C20H21ClO3
MOLECULAR WEIGHT: 344.83194
SMILES: C1CCC(C1)OC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
Structure:
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