CAS RN: 121880-08-8
CAS Name: (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate
IUPAC Name: methyl (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate
SYSTEMATIC NAME: methyl (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-1,4a,6a,6b,9,9,12a-heptamethyl-4,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate
MOLECULAR FORMULA: C31H50O4
MOLECULAR WEIGHT: 486.7263
SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)O)C(=O)OC
Structure:
CAS RN: 121880-07-7
CAS Name: (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
IUPAC Name: methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
SYSTEMATIC NAME: methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxidanyl-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: C[C@]12CCC(=O)C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](C[C@@H]5O)(C)C(=O)OC)C)C)C)(C)C
Structure:
CAS RN: 107190-22-7
CAS Name: 6-[5-chloro-1-methyl-2-(3-pyridinyl)-3-indolyl]hexanoic acid hydrochloride
OPENEYE Name: 6-[5-chloro-1-methyl-2-(3-pyridyl)indol-3-yl]hexanoic acid hydrochloride
IUPAC Name: 6-(5-chloro-1-methyl-2-pyridin-3-ylindol-3-yl)hexanoic acid hydrochloride
SYSTEMATIC NAME: 6-(5-chloranyl-1-methyl-2-pyridin-3-yl-indol-3-yl)hexanoic acid hydrochloride
MOLECULAR FORMULA: C20H22Cl2N2O2
MOLECULAR WEIGHT: 393.30688
SMILES: CN1C2=C(C=C(C=C2)Cl)C(=C1C3=CN=CC=C3)CCCCCC(=O)O.Cl
Structure:
CAS RN: 107189-96-8
CAS Name: 4-acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
OPENEYE Name: 4-acetyl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
IUPAC Name: 4-acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
SYSTEMATIC NAME: 4-ethanoyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC1=C2CC(CCC2=C(C(=O)N1)C(=O)C)C3=CC=NC=C3
Structure:
CAS RN: 107188-90-9
CAS Name: 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-hydroxy-2-methoxybenzamide
OPENEYE Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxy-benzamide
IUPAC Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-6-oxidanyl-benzamide
MOLECULAR FORMULA: C15H21BrN2O3
MOLECULAR WEIGHT: 357.24284
SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)O
Structure:
CAS RN: 121864-88-8
CAS Name: 1-(propan-2-ylamino)-3-(2,4,6-tripropylphenoxy)-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2,4,6-tripropylphenoxy)propan-2-ol
IUPAC Name: 1-(propan-2-ylamino)-3-(2,4,6-tripropylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(propan-2-ylamino)-3-(2,4,6-tripropylphenoxy)propan-2-ol
MOLECULAR FORMULA: C21H37NO2
MOLECULAR WEIGHT: 335.52398
SMILES: CCCC1=CC(=C(C(=C1)CCC)OCC(CNC(C)C)O)CCC
Structure:
CAS RN: 121843-39-8
CAS Name: N-methylcarbamic acid [(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] ester
OPENEYE Name: [(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
IUPAC Name: [(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
SYSTEMATIC NAME: [(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
MOLECULAR FORMULA: C16H24N3O2+
MOLECULAR WEIGHT: 290.38066
SMILES: C[C@@]12CC[N+]([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)(C)C
Structure:
CAS RN: 121838-28-6
CAS Name: 4-amino-3-(2-benzofuranyl)butanoic acid
OPENEYE Name: 4-amino-3-(benzofuran-2-yl)butanoic acid
IUPAC Name: 4-amino-3-(1-benzofuran-2-yl)butanoic acid
SYSTEMATIC NAME: 4-azanyl-3-(1-benzofuran-2-yl)butanoic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: C1=CC=C2C(=C1)C=C(O2)C(CC(=O)O)CN
Structure:
CAS RN: 121822-56-8
CAS Name: 27-hydroxyoctacosanoic acid
OPENEYE Name: 27-hydroxyoctacosanoic acid
IUPAC Name: 27-hydroxyoctacosanoic acid
SYSTEMATIC NAME: 27-oxidanyloctacosanoic acid
MOLECULAR FORMULA: C28H56O3
MOLECULAR WEIGHT: 440.74244
SMILES: CC(CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)O
Structure:
CAS RN: 121820-32-4
CAS Name: acetic acid 8-(3-heptyl-2-oxiranyl)oct-1-en-4,6-diyn-3-yl ester
OPENEYE Name: [6-(3-heptyloxiran-2-yl)-1-vinyl-hexa-2,4-diynyl] acetate
IUPAC Name: 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
SYSTEMATIC NAME: 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl ethanoate
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CCCCCCCC1C(O1)CC#CC#CC(C=C)OC(=O)C
Structure:
CAS RN: 121809-82-3
CAS Name: 2-methyl-2-[4-[[oxo-(3,4,5-trichloroanilino)methyl]amino]phenoxy]propanoic acid
OPENEYE Name: 2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid
IUPAC Name: 2-methyl-2-[4-[(3,4,5-trichlorophenyl)carbamoylamino]phenoxy]propanoic acid
SYSTEMATIC NAME: 2-methyl-2-[4-[[3,4,5-tris(chloranyl)phenyl]carbamoylamino]phenoxy]propanoic acid
MOLECULAR FORMULA: C17H15Cl3N2O4
MOLECULAR WEIGHT: 417.671
SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C(=C2)Cl)Cl)Cl
Structure:
CAS RN: 121809-52-7
CAS Name: 3-(phenylmethyl)-1,2,4-trioxolane
OPENEYE Name: 3-benzyl-1,2,4-trioxolane
IUPAC Name: 3-benzyl-1,2,4-trioxolane
SYSTEMATIC NAME: 3-(phenylmethyl)-1,2,4-trioxolane
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1OC(OO1)CC2=CC=CC=C2
Structure:
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