CAS RN: 174635-69-9
CAS Name: 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide
OPENEYE Name: 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
IUPAC Name: 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C26H24N2O
MOLECULAR WEIGHT: 380.48156
SMILES: CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C
Structure:
CAS RN: 70018-51-8
CAS Name: (3R)-6-chloro-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
OPENEYE Name: (3R)-6-chloro-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
IUPAC Name: (3R)-6-chloro-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
SYSTEMATIC NAME: (3R)-6-chloranyl-3-methyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
MOLECULAR FORMULA: C11H10ClN3O
MOLECULAR WEIGHT: 235.6696
SMILES: C[C@@H]1C(=O)N=C2N1CC3=C(N2)C=CC=C3Cl
Structure:
CAS RN: 14289-31-7
CAS Name: (2S)-N-(2-methylphenyl)-2-(propylamino)propanamide
OPENEYE Name: (2S)-N-(o-tolyl)-2-(propylamino)propanamide
IUPAC Name: (2S)-N-(2-methylphenyl)-2-(propylamino)propanamide
SYSTEMATIC NAME: (2S)-N-(2-methylphenyl)-2-(propylamino)propanamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CCCN[C@@H](C)C(=O)NC1=CC=CC=C1C
Structure:
CAS RN: 88929-35-5
CAS Name: 2-[(4S)-4-hydroxy-2-oxo-1-pyrrolidinyl]acetamide
OPENEYE Name: 2-[(4S)-4-hydroxy-2-oxo-pyrrolidin-1-yl]acetamide
IUPAC Name: 2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide
SYSTEMATIC NAME: 2-[(4S)-4-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]ethanamide
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: C1[C@@H](CN(C1=O)CC(=O)N)O
Structure:
CAS RN: 264622-58-4
CAS Name: N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
OPENEYE Name: N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
IUPAC Name: N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]-N-(4-cyanophenyl)ethanamide
MOLECULAR FORMULA: C26H26N6O4
MOLECULAR WEIGHT: 486.52244
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
Structure:
CAS RN: 79558-09-1
CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
OPENEYE Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]phenoxy]acetic acid
IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenoxy]ethanoic acid
MOLECULAR FORMULA: C22H26O7
MOLECULAR WEIGHT: 402.43764
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)OCC(=O)O
Structure:
CAS RN: 4071-39-0
CAS Name: (2S,3S,4R)-3-(carboxymethyl)-4-(1-methylethenyl)-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,3S,4R)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,3S,4R)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4R)-3-(2-hydroxy-2-oxoethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H15NO4
MOLECULAR WEIGHT: 213.2304
SMILES: CC(=C)[C@@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Structure:
CAS RN: 80751-65-1
CAS Name: (5S)-9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
OPENEYE Name: (5S)-3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
IUPAC Name: (5S)-9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
SYSTEMATIC NAME: (5S)-9-chloranyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
MOLECULAR FORMULA: C19H20ClNO2
MOLECULAR WEIGHT: 329.8206
SMILES: C=CCN1CCC2=C(C(=C(C=C2[C@@H](C1)C3=CC=CC=C3)O)O)Cl
Structure:
CAS RN: 78420-15-2
CAS Name: 7-[(4R)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxo-4-imidazolidinyl]heptanoic acid
OPENEYE Name: 7-[(4R)-3-[(3R)-3-cyclohexyl-3-hydroxy-propyl]-2,5-dioxo-imidazolidin-4-yl]heptanoic acid
IUPAC Name: 7-[(4R)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
SYSTEMATIC NAME: 7-[(4R)-3-[(3R)-3-cyclohexyl-3-oxidanyl-propyl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]heptanoic acid
MOLECULAR FORMULA: C19H32N2O5
MOLECULAR WEIGHT: 368.46778
SMILES: C1CCC(CC1)[C@@H](CCN2[C@@H](C(=O)NC2=O)CCCCCCC(=O)O)O
Structure:
CAS RN: 60719-82-6
CAS Name: (2S)-2-aminopropanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester
OPENEYE Name: [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] (2S)-2-aminopropanoate
IUPAC Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl] (2S)-2-aminopropanoate
SYSTEMATIC NAME: [1-(4-chlorophenyl)-2-methyl-propan-2-yl] (2S)-2-azanylpropanoate
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C[C@@H](C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N
Structure:
CAS RN: 75191-45-6
CAS Name: 6,6-dimethyl-1-(2-methylphenyl)-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 6,6-dimethyl-1-(o-tolyl)-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 6,6-dimethyl-1-(2-methylphenyl)-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-1-(2-methylphenyl)-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C12H18ClN5
MOLECULAR WEIGHT: 267.75782
SMILES: CC1=CC=CC=C1N2C(=NC(=NC2(C)C)N)N.Cl
Structure:
CAS RN: 1225-55-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22ClN
MOLECULAR WEIGHT: 299.83768
SMILES: CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13.Cl
Structure:
CAS RN: 114-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22BrNO4
MOLECULAR WEIGHT: 384.26488
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br
Structure:
CAS RN: 17399-10-9
CAS Name: 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C12H18ClN5O
MOLECULAR WEIGHT: 283.75722
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OC)N)N)C.Cl
Structure:
CAS RN: 15637-49-7
CAS Name: 1-methyl-4-oxo-3-piperidinecarboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 1-methyl-4-oxo-piperidine-3-carboxylate hydrochloride
IUPAC Name: ethyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 1-methyl-4-oxidanylidene-piperidine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C9H16ClNO3
MOLECULAR WEIGHT: 221.68124
SMILES: CCOC(=O)C1CN(CCC1=O)C.Cl
Structure:
CAS RN: 6576-51-8
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-formamido-1-methyl-2-pyrrolecarboxamide hydrochloride
OPENEYE Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide hydrochloride
IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide hydrochloride
MOLECULAR FORMULA: C22H28ClN9O4
MOLECULAR WEIGHT: 517.96862
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O.Cl
Structure:
CAS RN: 6024-85-7
CAS Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
OPENEYE Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
MOLECULAR FORMULA: C21H26ClNO4
MOLECULAR WEIGHT: 391.88844
SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.Cl
Structure:
CAS RN: 2506-20-9
CAS Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
OPENEYE Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
MOLECULAR FORMULA: C21H26ClNO4
MOLECULAR WEIGHT: 391.88844
SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.Cl
Structure:
CAS RN: 6024-83-5
CAS Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
OPENEYE Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride
MOLECULAR FORMULA: C21H26ClNO4
MOLECULAR WEIGHT: 391.88844
SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC.Cl
Structure:
CAS RN: 220585-89-7
CAS Name: (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]oxane-2,3,4,5-tetrol
OPENEYE Name: (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O
Structure:
CAS RN: 608-53-7
CAS Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoic acid
OPENEYE Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoic acid
IUPAC Name: (2R,3S,4S)-2,3,4,5-tetrahydroxypentanoic acid
SYSTEMATIC NAME: (2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C5H10O6
MOLECULAR WEIGHT: 166.1293
SMILES: C([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O
Structure:
CAS RN: 36309-01-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25N
MOLECULAR WEIGHT: 255.3978
SMILES: CC1=CC2=C(C[C@@H]3[C@@H]4[C@@]2(CCCC4)CCN3C)C=C1
Structure:
CAS RN: 1121-62-6
CAS Name: (4S)-4-(chloromethyl)-1,3-dioxane
OPENEYE Name: (4S)-4-(chloromethyl)-1,3-dioxane
IUPAC Name: (4S)-4-(chloromethyl)-1,3-dioxane
SYSTEMATIC NAME: (4S)-4-(chloromethyl)-1,3-dioxane
MOLECULAR FORMULA: C5H9ClO2
MOLECULAR WEIGHT: 136.57676
SMILES: C1COCO[C@@H]1CCl
Structure:
CAS RN: 21262-11-3
CAS Name: (2S)-2-chloro-N-(3-methoxyphenyl)propanamide
OPENEYE Name: (2S)-2-chloro-N-(3-methoxyphenyl)propanamide
IUPAC Name: (2S)-2-chloro-N-(3-methoxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-chloranyl-N-(3-methoxyphenyl)propanamide
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)OC)Cl
Structure:
CAS RN: 16257-57-1
CAS Name: (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl (2R,4R)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
IUPAC Name: methyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: methyl (2R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C13H17NO5S
MOLECULAR WEIGHT: 299.34278
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H]2C(=O)OC)O
Structure:
CAS RN: 436811-07-3
CAS Name: 4-[(3aS,4R,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
OPENEYE Name: 4-[(3aS,4R,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
IUPAC Name: 4-[(3aS,4R,9bS)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
SYSTEMATIC NAME: 4-[(3aS,4R,9bS)-8-fluoranyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
MOLECULAR FORMULA: C19H15FNO2-
MOLECULAR WEIGHT: 308.326303
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)C(=O)[O-]
Structure:
CAS RN: 320784-65-4
CAS Name: (1S,2S,3S,4R)-2-[oxo-(2-thiazolylamino)methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate
OPENEYE Name: (1S,2S,3S,4R)-2-(thiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate
IUPAC Name: (1S,2S,3S,4R)-2-(1,3-thiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate
SYSTEMATIC NAME: (1S,2S,3S,4R)-2-(1,3-thiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate
MOLECULAR FORMULA: C12H11N2O3S-
MOLECULAR WEIGHT: 263.29234
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=NC=CS3)C(=O)[O-]
Structure:
CAS RN: 415919-39-0
CAS Name: (2S)-2-[[(3S)-1,1-dioxo-3-thiolanyl]ammonio]-3-(4-hydroxyphenyl)propanoate
OPENEYE Name: (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]ammonio]-3-(4-hydroxyphenyl)propanoate
IUPAC Name: (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]azaniumyl]-3-(4-hydroxyphenyl)propanoate
SYSTEMATIC NAME: (2S)-2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]azaniumyl]-3-(4-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C13H17NO5S
MOLECULAR WEIGHT: 299.34278
SMILES: C1CS(=O)(=O)C[C@H]1[NH2+][C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]
Structure:
CAS RN: 84860-35-5
CAS Name: (2S)-2-[[(cyclohexylamino)-oxomethyl]amino]-3-methylbutanoate
OPENEYE Name: (2S)-2-(cyclohexylcarbamoylamino)-3-methyl-butanoate
IUPAC Name: (2S)-2-(cyclohexylcarbamoylamino)-3-methylbutanoate
SYSTEMATIC NAME: (2S)-2-(cyclohexylcarbamoylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C12H21N2O3-
MOLECULAR WEIGHT: 241.30674
SMILES: CC(C)[C@@H](C(=O)[O-])NC(=O)NC1CCCCC1
Structure:
CAS RN: 436811-24-4
CAS Name: (1S,2S,3S,4R)-2-[oxo-(4-sulfamoylanilino)methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate
OPENEYE Name: (1S,2S,3S,4R)-2-[(4-sulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate
IUPAC Name: (1S,2S,3S,4R)-2-[(4-sulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate
SYSTEMATIC NAME: (1S,2S,3S,4R)-2-[(4-sulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate
MOLECULAR FORMULA: C15H15N2O5S-
MOLECULAR WEIGHT: 335.355
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)[O-]
Structure:
CAS RN: 1201-74-7
CAS Name: [(1S)-1-(2-naphthalenyl)ethyl]ammonium
OPENEYE Name: [(1S)-1-(2-naphthyl)ethyl]ammonium
IUPAC Name: [(1S)-1-naphthalen-2-ylethyl]azanium
SYSTEMATIC NAME: [(1S)-1-naphthalen-2-ylethyl]azanium
MOLECULAR FORMULA: C12H14N+
MOLECULAR WEIGHT: 172.24626
SMILES: C[C@@H](C1=CC2=CC=CC=C2C=C1)[NH3+]
Structure:
CAS RN: 59045-82-8
CAS Name: (3S)-3-piperidinecarboxylic acid
OPENEYE Name: (3S)-piperidine-3-carboxylic acid
IUPAC Name: (3S)-piperidine-3-carboxylic acid
SYSTEMATIC NAME: (3S)-piperidine-3-carboxylic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1C[C@@H](CNC1)C(=O)O
Structure:
CAS RN: 436811-11-9
CAS Name: (1S,3R)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
OPENEYE Name: (1S,3R)-1-isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
IUPAC Name: (1S,3R)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
SYSTEMATIC NAME: (1S,3R)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CC(C)[C@H]1C2=C(C[C@@H]([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2
Structure:
CAS RN: 89-78-1
CAS Name: (1R,2R,5S)-5-methyl-2-propan-2-yl-1-cyclohexanol
OPENEYE Name: (1R,2R,5S)-2-isopropyl-5-methyl-cyclohexanol
IUPAC Name: (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: (1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)C
Structure:
CAS RN: 436811-14-2
CAS Name: (2S)-2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-4-(methylthio)butanoate
OPENEYE Name: (2S)-2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-4-methylsulfanyl-butanoate
IUPAC Name: (2S)-2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-4-methylsulfanylbutanoate
SYSTEMATIC NAME: (2S)-2-[(3aS,6aS)-2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C9H13N4O4S-
MOLECULAR WEIGHT: 273.28892
SMILES: CSCC[C@@H](C(=O)[O-])N1[C@H]2[C@@H](NC(=O)N2)NC1=O
Structure:
CAS RN: 4711-06-2
CAS Name: (1S,2S,3R)-1-(2-quinoxalinyl)butane-1,2,3,4-tetrol
OPENEYE Name: (1S,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
IUPAC Name: (1S,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
SYSTEMATIC NAME: (1S,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: C1=CC=C2C(=C1)N=CC(=N2)[C@@H]([C@@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 10191-41-0
CAS Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
SMILES: CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)O
Structure:
CAS RN: 121854-78-2
CAS Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
SMILES: CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)O
Structure:
CAS RN: 18920-62-2
CAS Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
SMILES: CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)O
Structure:
CAS RN: 364-49-8
CAS Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C29H50O2
MOLECULAR WEIGHT: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
SMILES: CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)O
Structure:
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