CAS RN: 4471-27-6
CAS Name: 1,4-dioxacyclotridecane-5,13-dione
OPENEYE Name: 1,4-dioxacyclotridecane-5,13-dione
IUPAC Name: 1,4-dioxacyclotridecane-5,13-dione
SYSTEMATIC NAME: 1,4-dioxacyclotridecane-5,13-dione
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C1CCCC(=O)OCCOC(=O)CCC1
Structure:
CAS RN: 4468-15-9
CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxybenzamide
OPENEYE Name: N-[2-(dimethylamino)-2-oxo-ethyl]-2-hydroxy-benzamide
IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxybenzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CN(C)C(=O)CNC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 4468-14-8
CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
OPENEYE Name: N-[2-(dimethylamino)-2-oxo-ethyl]-2-methyl-benzamide
IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-methyl-benzamide
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC1=CC=CC=C1C(=O)NCC(=O)N(C)C
Structure:
CAS RN: 4468-13-7
CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-2-methoxybenzamide
OPENEYE Name: N-[2-(dimethylamino)-2-oxo-ethyl]-2-methoxy-benzamide
IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-2-methoxybenzamide
SYSTEMATIC NAME: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-methoxy-benzamide
MOLECULAR FORMULA: C12H16N2O3
MOLECULAR WEIGHT: 236.26704
SMILES: CN(C)C(=O)CNC(=O)C1=CC=CC=C1OC
Structure:
CAS RN: 4464-75-9
CAS Name: 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
OPENEYE Name: 1,2-bis(4-hydroxy-3-methoxy-phenyl)ethane-1,2-diol
IUPAC Name: 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1,2-bis(3-methoxy-4-oxidanyl-phenyl)ethane-1,2-diol
MOLECULAR FORMULA: C16H18O6
MOLECULAR WEIGHT: 306.31052
SMILES: COC1=C(C=CC(=C1)C(C(C2=CC(=C(C=C2)O)OC)O)O)O
Structure:
CAS RN: 4449-95-0
CAS Name: 5-[4-[2-chloroethyl(ethyl)amino]phenyl]azopyrimidine-2,4,6-triamine
OPENEYE Name: 5-[4-[2-chloroethyl(ethyl)amino]phenyl]azopyrimidine-2,4,6-triamine
IUPAC Name: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H19ClN8
MOLECULAR WEIGHT: 334.80726
SMILES: CCN(CCCl)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N
Structure:
CAS RN: 4449-93-8
CAS Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]azopyrimidine-2,4,6-triamine
OPENEYE Name: 5-[4-[bis(2-chloroethyl)amino]phenyl]azopyrimidine-2,4,6-triamine
IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H18Cl2N8
MOLECULAR WEIGHT: 369.25232
SMILES: C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)N(CCCl)CCCl
Structure:
CAS RN: 4449-92-7
CAS Name: 5-[4-(diethylamino)phenyl]azopyrimidine-2,4,6-triamine
OPENEYE Name: 5-[4-(diethylamino)phenyl]azopyrimidine-2,4,6-triamine
IUPAC Name: 5-[[4-(diethylamino)phenyl]diazenyl]pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-[[4-(diethylamino)phenyl]diazenyl]pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H20N8
MOLECULAR WEIGHT: 300.3622
SMILES: CCN(CC)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N
Structure:
CAS RN: 4441-56-9
CAS Name: cyclohexylboronic acid
OPENEYE Name: cyclohexylboronic acid
IUPAC Name: cyclohexylboronic acid
SYSTEMATIC NAME: cyclohexylboronic acid
MOLECULAR FORMULA: C6H13BO2
MOLECULAR WEIGHT: 127.97722
SMILES: B(C1CCCCC1)(O)O
Structure:
CAS RN: 4441-31-0
CAS Name: 3-(4-morpholinyl)-1,1-diphenyl-1-propanol
OPENEYE Name: 3-morpholino-1,1-diphenyl-propan-1-ol
IUPAC Name: 3-morpholin-4-yl-1,1-diphenylpropan-1-ol
SYSTEMATIC NAME: 3-morpholin-4-yl-1,1-diphenyl-propan-1-ol
MOLECULAR FORMULA: C19H23NO2
MOLECULAR WEIGHT: 297.39142
SMILES: C1COCCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 4441-30-9
CAS Name: 3-(4-morpholinyl)-1-propanol
OPENEYE Name: 3-morpholinopropan-1-ol
IUPAC Name: 3-morpholin-4-ylpropan-1-ol
SYSTEMATIC NAME: 3-morpholin-4-ylpropan-1-ol
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: C1COCCN1CCCO
Structure:
CAS RN: 4434-13-3
CAS Name: 5-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 5-methylpyridine-2-carboxylic acid
IUPAC Name: 5-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-methylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CN=C(C=C1)C(=O)O
Structure:
CAS RN: 4427-18-3
CAS Name: N-(cyclopentylideneamino)-4-pyridinecarboxamide
OPENEYE Name: N-(cyclopentylideneamino)pyridine-4-carboxamide
IUPAC Name: N-(cyclopentylideneamino)pyridine-4-carboxamide
SYSTEMATIC NAME: N-(cyclopentylideneamino)pyridine-4-carboxamide
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: C1CCC(=NNC(=O)C2=CC=NC=C2)C1
Structure:
CAS RN: 4424-32-2
CAS Name: 2-(4-methylphenyl)propane-1,3-diol
OPENEYE Name: 2-(p-tolyl)propane-1,3-diol
IUPAC Name: 2-(4-methylphenyl)propane-1,3-diol
SYSTEMATIC NAME: 2-(4-methylphenyl)propane-1,3-diol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC1=CC=C(C=C1)C(CO)CO
Structure:
CAS RN: 4423-96-5
CAS Name: 6-(2-chlorophenyl)-2,2-dimethyl-4-piperidinone
OPENEYE Name: 6-(2-chlorophenyl)-2,2-dimethyl-piperidin-4-one
IUPAC Name: 6-(2-chlorophenyl)-2,2-dimethylpiperidin-4-one
SYSTEMATIC NAME: 6-(2-chlorophenyl)-2,2-dimethyl-piperidin-4-one
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: CC1(CC(=O)CC(N1)C2=CC=CC=C2Cl)C
Structure:
CAS RN: 4420-67-1
CAS Name: acetic acid [3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O10
MOLECULAR WEIGHT: 592.71752
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O
Structure:
CAS RN: 4420-66-0
CAS Name: acetic acid [3-[(3-acetyloxy-5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [3-(3-acetoxy-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [3-(3-acetyloxy-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [3-(3-acetyloxy-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C34H50O11
MOLECULAR WEIGHT: 634.7542
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC)O
Structure:
CAS RN: 4420-65-9
CAS Name: acetic acid [(2R,3R,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate
IUPAC Name: [(2R,3R,4R,5S,6S)-5-hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4R,5S,6S)-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
Structure:
CAS RN: 4418-45-5
CAS Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid
OPENEYE Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxo-cyclohexyl]-2-methyl-propanoic acid
IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]-2-oxocyclohexyl]-2-methylpropanoic acid
SYSTEMATIC NAME: 3-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-cyclohexyl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C17H21ClO3
MOLECULAR WEIGHT: 308.79984
SMILES: CC(CC1(CCCCC1=O)CC2=CC=CC=C2Cl)C(=O)O
Structure:
CAS RN: 4418-21-7
CAS Name: 3-[[3,4-dimethoxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: 3-[3,4-dimethoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: 3-[3,4-dimethoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: 3-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C37H56O15
MOLECULAR WEIGHT: 740.83154
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC)OC7C(C(C(C(O7)CO)O)O)O
Structure:
CAS RN: 4414-11-3
CAS Name: propanoic acid (2,2,2-trichloro-1-dimethoxyphosphorylethyl) ester
OPENEYE Name: (2,2,2-trichloro-1-dimethoxyphosphoryl-ethyl) propanoate
IUPAC Name: (2,2,2-trichloro-1-dimethoxyphosphorylethyl) propanoate
SYSTEMATIC NAME: [2,2,2-tris(chloranyl)-1-dimethoxyphosphoryl-ethyl] propanoate
MOLECULAR FORMULA: C7H12Cl3O5P
MOLECULAR WEIGHT: 313.499941
SMILES: CCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
Structure:
CAS RN: 4400-66-2
CAS Name: 1-(4-hydroxycyclohexyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-(4-hydroxycyclohexyl)-5-isopentyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-(4-hydroxycyclohexyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(3-methylbutyl)-1-(4-oxidanylcyclohexyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H24N2O4
MOLECULAR WEIGHT: 296.36206
SMILES: CC(C)CCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
Structure:
CAS RN: 4396-48-9
CAS Name: N,N-dimethyl-5-phenyl-1,3,4-oxadiazol-2-amine
OPENEYE Name: N,N-dimethyl-5-phenyl-1,3,4-oxadiazol-2-amine
IUPAC Name: N,N-dimethyl-5-phenyl-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: N,N-dimethyl-5-phenyl-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C10H11N3O
MOLECULAR WEIGHT: 189.21384
SMILES: CN(C)C1=NN=C(O1)C2=CC=CC=C2
Structure:
CAS RN: 4394-23-4
CAS Name: acetic acid [4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] ester
OPENEYE Name: [4-(5-methyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] acetate
IUPAC Name: [4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
SYSTEMATIC NAME: [4-[5-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]cyclohexyl] ethanoate
MOLECULAR FORMULA: C13H18N2O5
MOLECULAR WEIGHT: 282.29242
SMILES: CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
Structure:
CAS RN: 4394-22-3
CAS Name: acetic acid [4-(2,4,6-trioxo-5-pentyl-1,3-diazinan-1-yl)cyclohexyl] ester
OPENEYE Name: [4-(2,4,6-trioxo-5-pentyl-hexahydropyrimidin-1-yl)cyclohexyl] acetate
IUPAC Name: [4-(2,4,6-trioxo-5-pentyl-1,3-diazinan-1-yl)cyclohexyl] acetate
SYSTEMATIC NAME: [4-[2,4,6-tris(oxidanylidene)-5-pentyl-1,3-diazinan-1-yl]cyclohexyl] ethanoate
MOLECULAR FORMULA: C17H26N2O5
MOLECULAR WEIGHT: 338.39874
SMILES: CCCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
Structure:
CAS RN: 4392-64-7
CAS Name: N-(4-oxo-3-quinazolinyl)benzenesulfonamide
OPENEYE Name: N-(4-oxoquinazolin-3-yl)benzenesulfonamide
IUPAC Name: N-(4-oxoquinazolin-3-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-oxidanylidenequinazolin-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C14H11N3O3S
MOLECULAR WEIGHT: 301.32044
SMILES: C1=CC=C(C=C1)S(=O)(=O)NN2C=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 4385-59-5
CAS Name: 1-methyl-3,4-dihydro-1H-2-benzopyran-3-one
OPENEYE Name: 1-methylisochroman-3-one
IUPAC Name: 1-methyl-1,4-dihydroisochromen-3-one
SYSTEMATIC NAME: 1-methyl-1,4-dihydroisochromen-3-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC1C2=CC=CC=C2CC(=O)O1
Structure:
CAS RN: 4385-07-3
CAS Name: 5,5-diethyl-1,3-thiazinane-2,4-dione
OPENEYE Name: 5,5-diethyl-1,3-thiazinane-2,4-dione
IUPAC Name: 5,5-diethyl-1,3-thiazinane-2,4-dione
SYSTEMATIC NAME: 5,5-diethyl-1,3-thiazinane-2,4-dione
MOLECULAR FORMULA: C8H13NO2S
MOLECULAR WEIGHT: 187.25932
SMILES: CCC1(CSC(=O)NC1=O)CC
Structure:
CAS RN: 4383-46-4
CAS Name: 1,1-bis(2-furanyl)-2-methyl-3-[methyl(2-phenylethyl)amino]-1-propanol; oxalic acid
OPENEYE Name: 1,1-bis(2-furyl)-2-methyl-3-[methyl(2-phenylethyl)amino]propan-1-ol; oxalic acid
IUPAC Name: 1,1-bis(furan-2-yl)-2-methyl-3-[methyl(2-phenylethyl)amino]propan-1-ol; oxalic acid
SYSTEMATIC NAME: 1,1-bis(furan-2-yl)-2-methyl-3-[methyl(2-phenylethyl)amino]propan-1-ol; ethanedioic acid
MOLECULAR FORMULA: C23H27NO7
MOLECULAR WEIGHT: 429.46298
SMILES: CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CO2)(C3=CC=CO3)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 4383-45-3
CAS Name: 2-methyl-3-[methyl(2-phenylethyl)amino]-1-phenyl-1-(2-pyridinyl)-1-propanol; oxalic acid
OPENEYE Name: 2-methyl-3-[methyl(2-phenylethyl)amino]-1-phenyl-1-(2-pyridyl)propan-1-ol; oxalic acid
IUPAC Name: 2-methyl-3-[methyl(2-phenylethyl)amino]-1-phenyl-1-pyridin-2-ylpropan-1-ol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 2-methyl-3-[methyl(2-phenylethyl)amino]-1-phenyl-1-pyridin-2-yl-propan-1-ol
MOLECULAR FORMULA: C26H30N2O5
MOLECULAR WEIGHT: 450.5268
SMILES: CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=N3)O.C(=O)(C(=O)O)O
Structure:
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