CAS RN: 6959-78-0
CAS Name: 2-[5-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[5-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]acetate
IUPAC Name: ethyl 2-[5-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]ethanoate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CCOC(=O)CC1=CNC2=C1C=C(C=C2)N(CCO)CCO
Structure:
CAS RN: 87717-71-3
CAS Name: 2-methylsulfonylethylurea
OPENEYE Name: 2-methylsulfonylethylurea
IUPAC Name: 2-methylsulfonylethylurea
SYSTEMATIC NAME: 1-(2-methylsulfonylethyl)urea
MOLECULAR FORMULA: C4H10N2O3S
MOLECULAR WEIGHT: 166.1988
SMILES: CS(=O)(=O)CCNC(=O)N
Structure:
CAS RN: 5306-22-9
CAS Name: 2,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]terephthalic acid
OPENEYE Name: 2,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]terephthalic acid
IUPAC Name: 2,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]terephthalic acid
SYSTEMATIC NAME: 2,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]terephthalic acid
MOLECULAR FORMULA: C28H24N6O6
MOLECULAR WEIGHT: 540.52676
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C5=NCCN5)C(=O)O
Structure:
CAS RN: 7401-86-7
CAS Name: 1-[(3S,5R,8R,9S,10R,13R,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,5R,8R,9S,10R,13R,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,5R,8R,9S,10R,13R,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,5R,8R,9S,10R,13R,14S,17S)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C24H40O2
MOLECULAR WEIGHT: 360.5732
SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Structure:
CAS RN: 7401-89-0
CAS Name: acetic acid [(3S,5R,8R,9S,10R,13R,14S,17S)-17-acetyl-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5R,8R,9S,10R,13R,14S,17S)-17-acetyl-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5R,8R,9S,10R,13R,14S,17S)-17-acetyl-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,8R,9S,10R,13R,14S,17S)-17-ethanoyl-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
Structure:
CAS RN: 6956-93-0
CAS Name: (3S,8R,9S,10R,13S,14S,17S)-17-[bis(2-hydroxyethyl)amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8R,9S,10R,13S,14S,17S)-17-[bis(2-hydroxyethyl)amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-17-[bis(2-hydroxyethyl)amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,17S)-17-[bis(2-hydroxyethyl)amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C23H39NO3
MOLECULAR WEIGHT: 377.56066
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N(CCO)CCO)CC=C4[C@@]3(CC[C@@H](C4)O)C
Structure:
CAS RN: 5344-89-8
CAS Name: (3aR,3bS,5aS,6S,8aS,8bR)-6-hydroxy-3a,5a,6-trimethyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
OPENEYE Name: (3aR,3bS,5aS,6S,8aS,8bR)-6-hydroxy-3a,5a,6-trimethyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
IUPAC Name: (3aR,3bS,5aS,6S,8aS,8bR)-6-hydroxy-3a,5a,6-trimethyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
SYSTEMATIC NAME: (3aR,3bS,5aS,6S,8aS,8bR)-3a,5a,6-trimethyl-6-oxidanyl-3,3b,4,5,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C[C@]34C
Structure:
CAS RN: 22319-44-4
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,14S,16S,17S)-17-acetyl-10,13-dimethyl-12-oxo-16-(2-oxocyclopentyl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,16S,17S)-17-acetyl-10,13-dimethyl-12-oxo-16-(2-oxocyclopentyl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,16S,17S)-17-acetyl-10,13-dimethyl-12-oxo-16-(2-oxocyclopentyl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,16S,17S)-17-ethanoyl-10,13-dimethyl-12-oxidanylidene-16-(2-oxidanylidenecyclopentyl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C28H40O5
MOLECULAR WEIGHT: 456.6142
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C5CCCC5=O
Structure:
CAS RN: 78513-19-6
CAS Name: 2-chloro-1-[4-(2-chloro-1-oxoethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
OPENEYE Name: 2-chloro-1-[4-(2-chloroacetyl)-2,3-dihydroquinoxalin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[4-(2-chloroacetyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[4-(2-chloranylethanoyl)-2,3-dihydroquinoxalin-1-yl]ethanone
MOLECULAR FORMULA: C12H12Cl2N2O2
MOLECULAR WEIGHT: 287.14188
SMILES: C1CN(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl
Structure:
CAS RN: 77943-39-6
CAS Name: 4-methyl-5-phenyl-2-oxazolidinone
OPENEYE Name: 4-methyl-5-phenyl-oxazolidin-2-one
IUPAC Name: 4-methyl-5-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4-methyl-5-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1C(OC(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 54418-69-8
CAS Name: 4-methyl-5-phenyl-2-oxazolidinone
OPENEYE Name: 4-methyl-5-phenyl-oxazolidin-2-one
IUPAC Name: 4-methyl-5-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4-methyl-5-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1C(OC(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 68211-03-0
CAS Name: 4-(1-aziridinyl)-5-chlorocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-5-chloro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-5-chlorocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-5-chloranyl-cinnoline
MOLECULAR FORMULA: C10H8ClN3
MOLECULAR WEIGHT: 205.64362
SMILES: C1CN1C2=CN=NC3=C2C(=CC=C3)Cl
Structure:
CAS RN: 68211-05-2
CAS Name: 4-(1-aziridinyl)-8-chlorocinnoline
OPENEYE Name: 4-(aziridin-1-yl)-8-chloro-cinnoline
IUPAC Name: 4-(aziridin-1-yl)-8-chlorocinnoline
SYSTEMATIC NAME: 4-(aziridin-1-yl)-8-chloranyl-cinnoline
MOLECULAR FORMULA: C10H8ClN3
MOLECULAR WEIGHT: 205.64362
SMILES: C1CN1C2=CN=NC3=C2C=CC=C3Cl
Structure:
CAS RN: 38291-69-9
CAS Name: (2-hexoxyphenyl)methanol
OPENEYE Name: (2-hexoxyphenyl)methanol
IUPAC Name: (2-hexoxyphenyl)methanol
SYSTEMATIC NAME: (2-hexoxyphenyl)methanol
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CCCCCCOC1=CC=CC=C1CO
Structure:
CAS RN: 18986-09-9
CAS Name: 4-(3-methylbutoxy)benzaldehyde
OPENEYE Name: 4-isopentyloxybenzaldehyde
IUPAC Name: 4-(3-methylbutoxy)benzaldehyde
SYSTEMATIC NAME: 4-(3-methylbutoxy)benzaldehyde
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(C)CCOC1=CC=C(C=C1)C=O
Structure:
CAS RN: 21714-26-1
CAS Name: 4-(3-methylbutoxy)benzaldehyde
OPENEYE Name: 4-isopentyloxybenzaldehyde
IUPAC Name: 4-(3-methylbutoxy)benzaldehyde
SYSTEMATIC NAME: 4-(3-methylbutoxy)benzaldehyde
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(C)CCOC1=CC=C(C=C1)C=O
Structure:
CAS RN: 37526-88-8
CAS Name: (E)-2-methyl-2-butenoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (E)-2-methylbut-2-enoate
IUPAC Name: benzyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: (phenylmethyl) (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C/C=C(\C)/C(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 64825-05-4
CAS Name: (4-butan-2-yloxyphenyl)methanol
OPENEYE Name: (4-sec-butoxyphenyl)methanol
IUPAC Name: (4-butan-2-yloxyphenyl)methanol
SYSTEMATIC NAME: (4-butan-2-yloxyphenyl)methanol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CCC(C)OC1=CC=C(C=C1)CO
Structure:
CAS RN: 73264-87-6
CAS Name: (4-butan-2-yloxyphenyl)methanol
OPENEYE Name: (4-sec-butoxyphenyl)methanol
IUPAC Name: (4-butan-2-yloxyphenyl)methanol
SYSTEMATIC NAME: (4-butan-2-yloxyphenyl)methanol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CCC(C)OC1=CC=C(C=C1)CO
Structure:
CAS RN: 7091-13-6
CAS Name: 2-butoxybenzaldehyde
OPENEYE Name: 2-butoxybenzaldehyde
IUPAC Name: 2-butoxybenzaldehyde
SYSTEMATIC NAME: 2-butoxybenzaldehyde
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCCOC1=CC=CC=C1C=O
Structure:
CAS RN: 22921-58-0
CAS Name: 2-propan-2-yloxybenzaldehyde
OPENEYE Name: 2-isopropoxybenzaldehyde
IUPAC Name: 2-propan-2-yloxybenzaldehyde
SYSTEMATIC NAME: 2-propan-2-yloxybenzaldehyde
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC(C)OC1=CC=CC=C1C=O
Structure:
CAS RN: 18962-05-5
CAS Name: 4-propan-2-yloxybenzaldehyde
OPENEYE Name: 4-isopropoxybenzaldehyde
IUPAC Name: 4-propan-2-yloxybenzaldehyde
SYSTEMATIC NAME: 4-propan-2-yloxybenzaldehyde
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC(C)OC1=CC=C(C=C1)C=O
Structure:
CAS RN: 6515-21-5
CAS Name: 4-(methoxymethoxy)benzaldehyde
OPENEYE Name: 4-(methoxymethoxy)benzaldehyde
IUPAC Name: 4-(methoxymethoxy)benzaldehyde
SYSTEMATIC NAME: 4-(methoxymethoxy)benzaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COCOC1=CC=C(C=C1)C=O
Structure:
No comments:
Post a Comment