Product OPENEYE NAME: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
CAS Name: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
IUPAC NAME: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CC1=CNC(=C1C(=O)C)C
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Product OPENEYE NAME: cyclododecene
CAS Name: cyclododecene
IUPAC NAME: cyclododecene
SYSTEMATIC NAME: cyclododecene
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: C1CCCCCC=CCCCC1
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Product OPENEYE NAME: 1-(1-adamantyl)ethanamine hydrochloride
CAS Name: 1-(1-adamantyl)ethanamine hydrochloride
IUPAC NAME: 1-(1-adamantyl)ethanamine hydrochloride
SYSTEMATIC NAME: 1-(1-adamantyl)ethanamine hydrochloride
MOLECULAR FORMULA: C12H22ClN
MOLECULAR WEIGHT: 215.76278
SMILES: CC(C12CC3CC(C1)CC(C3)C2)N.Cl
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Product OPENEYE NAME: cyclodecanol
CAS Name: cyclodecanol
IUPAC NAME: cyclodecanol
SYSTEMATIC NAME: cyclodecanol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: C1CCCCC(CCCC1)O
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Product OPENEYE NAME: methylcyclooctane
CAS Name: methylcyclooctane
IUPAC NAME: methylcyclooctane
SYSTEMATIC NAME: methylcyclooctane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CCCCCCC1
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C21H24ClNO5
MOLECULAR WEIGHT: 405.87196
SMILES: CC(=O)O[C@H]1C=C[C@H]2C3CC4=C5[C@]2(C1OC5=C(C=C4)OC(=O)C)CC[NH+]3C.[Cl-]
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MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CC(=O)O[C@H]1C=C[C@H]2C3CC4=C5[C@]2(C1OC5=C(C=C4)OC(=O)C)CCN3C
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Product OPENEYE NAME: N-(4-chlorophenyl)-N-hydroxy-acetamide
CAS Name: N-(4-chlorophenyl)-N-hydroxyacetamide
IUPAC NAME: N-(4-chlorophenyl)-N-hydroxyacetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: CC(=O)N(C1=CC=C(C=C1)Cl)O
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Product OPENEYE NAME: 4-phenylbut-3-en-2-ol
CAS Name: 4-phenyl-3-buten-2-ol
IUPAC NAME: 4-phenylbut-3-en-2-ol
SYSTEMATIC NAME: 4-phenylbut-3-en-2-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC(C=CC1=CC=CC=C1)O
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Product OPENEYE NAME: 3-(2-methoxyphenyl)prop-2-enal
CAS Name: 3-(2-methoxyphenyl)-2-propenal
IUPAC NAME: 3-(2-methoxyphenyl)prop-2-enal
SYSTEMATIC NAME: 3-(2-methoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: COC1=CC=CC=C1C=CC=O
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Product OPENEYE NAME: 2-methyl-2-(1-naphthyl)-4-(1-piperidyl)butanamide
CAS Name: 2-methyl-2-(1-naphthalenyl)-4-(1-piperidinyl)butanamide
IUPAC NAME: 2-methyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanamide
SYSTEMATIC NAME: 2-methyl-2-naphthalen-1-yl-4-piperidin-1-yl-butanamide
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
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Product OPENEYE NAME: 2-methyl-4-morpholino-2-(1-naphthyl)butanamide
CAS Name: 2-methyl-4-(4-morpholinyl)-2-(1-naphthalenyl)butanamide
IUPAC NAME: 2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanamide
SYSTEMATIC NAME: 2-methyl-4-morpholin-4-yl-2-naphthalen-1-yl-butanamide
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CC(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
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Product OPENEYE NAME: (2-hydroxy-2-tetralin-6-yl-ethyl)-sec-butyl-ammonium chloride
CAS Name: butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ammonium chloride
IUPAC NAME: butan-2-yl-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
SYSTEMATIC NAME: butan-2-yl-[2-oxidanyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium chloride
MOLECULAR FORMULA: C16H26ClNO
MOLECULAR WEIGHT: 283.83674
SMILES: CCC(C)[NH2+]CC(C1=CC2=C(CCCC2)C=C1)O.[Cl-]
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Product OPENEYE NAME: 2-(sec-butylamino)-1-tetralin-6-yl-ethanol
CAS Name: 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
IUPAC NAME: 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SYSTEMATIC NAME: 2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
MOLECULAR FORMULA: C16H25NO
MOLECULAR WEIGHT: 247.3758
SMILES: CCC(C)NCC(C1=CC2=C(CCCC2)C=C1)O
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Product OPENEYE NAME: N-methyl-N-prop-2-ynyl-indan-1-amine hydrochloride
CAS Name: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine hydrochloride
IUPAC NAME: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine hydrochloride
SYSTEMATIC NAME: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine hydrochloride
MOLECULAR FORMULA: C13H16ClN
MOLECULAR WEIGHT: 221.72584
SMILES: CN(CC#C)C1CCC2=CC=CC=C12.Cl
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Product OPENEYE NAME: N-methyl-N-prop-2-ynyl-indan-1-amine
CAS Name: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
IUPAC NAME: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CN(CC#C)C1CCC2=CC=CC=C12
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Product OPENEYE NAME: S-[4-[bis(2-chloroethyl)amino]phenyl] ethanethioate
CAS Name: ethanethioic acid S-[4-[bis(2-chloroethyl)amino]phenyl] ester
IUPAC NAME: S-[4-[bis(2-chloroethyl)amino]phenyl] ethanethioate
SYSTEMATIC NAME: S-[4-[bis(2-chloroethyl)amino]phenyl] ethanethioate
MOLECULAR FORMULA: C12H15Cl2NOS
MOLECULAR WEIGHT: 292.2246
SMILES: CC(=O)SC1=CC=C(C=C1)N(CCCl)CCCl
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Product OPENEYE NAME: 2-[2-[3-(3-methoxyphenyl)-3-propyl-pyrrolidin-1-ium-1-yl]ethoxy]ethanol chloride
CAS Name: 2-[2-[3-(3-methoxyphenyl)-3-propyl-1-pyrrolidin-1-iumyl]ethoxy]ethanol chloride
IUPAC NAME: 2-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-ium-1-yl]ethoxy]ethanol chloride
SYSTEMATIC NAME: 2-[2-[3-(3-methoxyphenyl)-3-propyl-pyrrolidin-1-ium-1-yl]ethoxy]ethanol chloride
MOLECULAR FORMULA: C18H30ClNO3
MOLECULAR WEIGHT: 343.8887
SMILES: CCCC1(CC[NH+](C1)CCOCCO)C2=CC(=CC=C2)OC.[Cl-]
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Product OPENEYE NAME: 2-[2-[3-(3-methoxyphenyl)-3-propyl-pyrrolidin-1-yl]ethoxy]ethanol
CAS Name: 2-[2-[3-(3-methoxyphenyl)-3-propyl-1-pyrrolidinyl]ethoxy]ethanol
IUPAC NAME: 2-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[3-(3-methoxyphenyl)-3-propyl-pyrrolidin-1-yl]ethoxy]ethanol
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CCCC1(CCN(C1)CCOCCO)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
CAS Name: N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
IUPAC NAME: N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
SYSTEMATIC NAME: N'-ethyl-7-(hydroxymethyl)-8-oxidanyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
MOLECULAR FORMULA: C24H30N2O8
MOLECULAR WEIGHT: 474.5036
SMILES: CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO
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Product OPENEYE NAME: [1-(3,5-dimethyl-2-oxo-cyclohexyl)-2-(2,6-dioxo-4-piperidyl)ethyl] acetate
CAS Name: acetic acid [1-(3,5-dimethyl-2-oxocyclohexyl)-2-(2,6-dioxo-4-piperidinyl)ethyl] ester
IUPAC NAME: [1-(3,5-dimethyl-2-oxocyclohexyl)-2-(2,6-dioxopiperidin-4-yl)ethyl] acetate
SYSTEMATIC NAME: [2-[2,6-bis(oxidanylidene)piperidin-4-yl]-1-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)ethyl] ethanoate
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)OC(=O)C)C
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