Wednesday, October 26, 2011

http://ChemLookup.com Compounds




CAS RN: 16784-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H58N2O13
MOLECULAR WEIGHT: 858.96902
SMILES: CCN(C1=CC=CC=C1)C(=O)COC2=C3C4=C(C(=C2)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC5(C(=O)C3=C(O5)C(=C4O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:

CAS RN: 16784-05-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H66N2O13
MOLECULAR WEIGHT: 867.03254
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(CC(C)C)CC(C)C)\C
Structure:

CAS RN: 16784-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H66N2O13
MOLECULAR WEIGHT: 867.03254
SMILES: CCCCN(CCCC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:

CAS RN: 16784-03-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N2O13
MOLECULAR WEIGHT: 838.97938
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C(C)C)C(C)C)\C
Structure:

CAS RN: 16784-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O13
MOLECULAR WEIGHT: 824.9528
SMILES: CCCN(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:

CAS RN: 16729-47-8
CAS Name: (9Z,12Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-9,12-dienamide
MOLECULAR FORMULA: C26H41NO3
MOLECULAR WEIGHT: 415.60864
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Structure:

CAS RN: 1253-02-7
CAS Name: (E)-2-butenedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
OPENEYE Name: 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
MOLECULAR FORMULA: C25H29NO5S
MOLECULAR WEIGHT: 455.56646
SMILES: C1CCN(CC1)CCOC2C3=CC=CC=C3CSC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 16679-30-4
CAS Name: (E)-2-butenedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
OPENEYE Name: 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
MOLECULAR FORMULA: C25H29NO5S
MOLECULAR WEIGHT: 455.56646
SMILES: C1CCN(CC1)CCOC2C3=CC=CC=C3CSC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 16562-72-4
CAS Name: acetic acid [2-methoxy-4-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[(E)-3-morpholino-3-oxo-prop-1-enyl]phenyl] acetate
IUPAC Name: [2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)OC
Structure:

CAS RN: 16562-71-3
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(2-methyl-4-morpholinyl)-2-propen-1-one
OPENEYE Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC
Structure:

CAS RN: 16562-70-2
CAS Name: (E)-1-(2-ethyl-4-morpholinyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2-ethylmorpholin-4-yl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2-ethylmorpholin-4-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2-ethylmorpholin-4-yl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CCC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC
Structure:

CAS RN: 16562-23-5
CAS Name: (E)-2-butenedioic acid; 1-phenyl-N-(pyridin-4-ylmethyl)-2-propanamine
OPENEYE Name: fumaric acid; 1-phenyl-N-(4-pyridylmethyl)propan-2-amine
IUPAC Name: (E)-but-2-enedioic acid; 1-phenyl-N-(pyridin-4-ylmethyl)propan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-phenyl-N-(pyridin-4-ylmethyl)propan-2-amine
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O
Structure:

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