CAS RN: 89915-39-9
CAS Name: 3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
OPENEYE Name: 3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
IUPAC Name: 3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Structure:
CAS RN: 14064-82-5
CAS Name: 3-[(E)-2-phenylethenyl]aniline
OPENEYE Name: 3-[(E)-styryl]aniline
IUPAC Name: 3-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: 3-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)N
Structure:
CAS RN: 61424-28-0
CAS Name: 3-[(E)-2-phenylethenyl]aniline
OPENEYE Name: 3-[(E)-styryl]aniline
IUPAC Name: 3-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: 3-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)N
Structure:
CAS RN: 110675-52-0
CAS Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
OPENEYE Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
IUPAC Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
SYSTEMATIC NAME: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: C/C=C/C1=C(C(=C(C2=CC=CC=C21)C)C)C
Structure:
CAS RN: 26137-53-1
CAS Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
OPENEYE Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
IUPAC Name: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
SYSTEMATIC NAME: 1,2,3-trimethyl-4-[(E)-prop-1-enyl]naphthalene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: C/C=C/C1=C(C(=C(C2=CC=CC=C21)C)C)C
Structure:
CAS RN: 14064-48-3
CAS Name: 1-methyl-3-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 1-methyl-3-[(E)-styryl]benzene
IUPAC Name: 1-methyl-3-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 1-methyl-3-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C15H14
MOLECULAR WEIGHT: 194.27166
SMILES: CC1=CC=CC(=C1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 6968-74-7
CAS Name: 1-phenalenone hydrazone
OPENEYE Name: phenalen-1-one hydrazone
IUPAC Name: (Z)-phenalen-1-ylidenehydrazine
SYSTEMATIC NAME: (Z)-phenalen-1-ylidenediazane
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC2=C3C(=C1)C=C/C(=N/N)/C3=CC=C2
Structure:
CAS RN: 952-06-7
CAS Name: 1,2-diphenylethanone oxime
OPENEYE Name: 1,2-diphenylethanone oxime
IUPAC Name: (NE)-N-(1,2-diphenylethylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(1,2-diphenylethylidene)hydroxylamine
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1=CC=C(C=C1)C/C(=N\O)/C2=CC=CC=C2
Structure:
CAS RN: 25939-05-3
CAS Name: (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
OPENEYE Name: (E)-N-(2,4,6-trichlorophenyl)benzohydrazonoyl chloride
IUPAC Name: (E)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
SYSTEMATIC NAME: (E)-N-[2,4,6-tris(chloranyl)phenyl]benzenecarbohydrazonoyl chloride
MOLECULAR FORMULA: C13H8Cl4N2
MOLECULAR WEIGHT: 334.02802
SMILES: C1=CC=C(C=C1)/C(=N\NC2=C(C=C(C=C2Cl)Cl)Cl)/Cl
Structure:
CAS RN: 50592-51-3
CAS Name: (6Z)-6-[(butylthio)methylidene]-2,2-diphenyl-1-cyclohexanone
OPENEYE Name: (6Z)-6-(butylsulfanylmethylene)-2,2-diphenyl-cyclohexanone
IUPAC Name: (6Z)-6-(butylsulfanylmethylidene)-2,2-diphenylcyclohexan-1-one
SYSTEMATIC NAME: (6Z)-6-(butylsulfanylmethylidene)-2,2-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C23H26OS
MOLECULAR WEIGHT: 350.51694
SMILES: CCCCS/C=C\1/CCCC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4497-40-9
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenal
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enal
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=C(C=C(C=C1)/C=C/C=O)OC
Structure:
CAS RN: 19169-94-9
CAS Name: (E)-3-(4-methoxyphenyl)-2-butenoic acid
OPENEYE Name: (E)-3-(4-methoxyphenyl)but-2-enoic acid
IUPAC Name: (E)-3-(4-methoxyphenyl)but-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)but-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C/C(=C\C(=O)O)/C1=CC=C(C=C1)OC
Structure:
CAS RN: 1013-69-0
CAS Name: 5,7-dihydroxy-2-methyl-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-methyl-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-methylchromen-4-one
SYSTEMATIC NAME: 2-methyl-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: CC1=CC(=O)C2=C(C=C(C=C2O1)O)O
Structure:
CAS RN: 15854-60-1
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=CC=CC(=C1OC)/C=C/C(=O)OC
Structure:
CAS RN: 23551-34-0
CAS Name: 2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-thiazol-4-yl]acetic acid
OPENEYE Name: 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-thiazol-4-yl]acetic acid
IUPAC Name: 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C11H9NO3S
MOLECULAR WEIGHT: 235.25906
SMILES: C1=CC(=O)C=CC1=C2NC(=CS2)CC(=O)O
Structure:
CAS RN: 127-43-5
CAS Name: (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-1-penten-3-one
OPENEYE Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCC(=O)/C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 1322-71-0
CAS Name: (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-1-penten-3-one
OPENEYE Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCC(=O)/C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 63429-28-7
CAS Name: (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-1-penten-3-one
OPENEYE Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCC(=O)/C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 79-70-9
CAS Name: (E)-4-(2,5,6,6-tetramethyl-1-cyclohexenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
IUPAC Name: (E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1CCC(=C(C1(C)C)/C=C/C(=O)C)C
Structure:
CAS RN: 21293-29-8
CAS Name: (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)C
Structure:
CAS RN: 14375-45-2
CAS Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
OPENEYE Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid
IUPAC Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
SYSTEMATIC NAME: (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1=CC(=O)CC(C1(/C=C/C(=C\C(=O)O)/C)O)(C)C
Structure:
CAS RN: 5896-02-6
CAS Name: 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC1=CC(=O)CC(C1/C=C/C=C)(C)C
Structure:
CAS RN: 4299-57-4
CAS Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]-1,4-benzoquinone
IUPAC Name: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C53H80O2
MOLECULAR WEIGHT: 749.2011
SMILES: CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C
Structure:
CAS RN: 18529-47-0
CAS Name: 6-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-1-benzopyran-2-one
OPENEYE Name: 6-[(E)-3-hydroxy-3-methyl-but-1-enyl]-7-methoxy-chromen-2-one
IUPAC Name: 6-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 7-methoxy-6-[(E)-3-methyl-3-oxidanyl-but-1-enyl]chromen-2-one
MOLECULAR FORMULA: C15H16O4
MOLECULAR WEIGHT: 260.28514
SMILES: CC(C)(/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O
Structure:
CAS RN: 655-25-4
CAS Name: 2,2,2-trifluoro-1-phenylethanone oxime
OPENEYE Name: 2,2,2-trifluoro-1-phenyl-ethanone oxime
IUPAC Name: (NE)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-[2,2,2-tris(fluoranyl)-1-phenyl-ethylidene]hydroxylamine
MOLECULAR FORMULA: C8H6F3NO
MOLECULAR WEIGHT: 189.13455
SMILES: C1=CC=C(C=C1)/C(=N\O)/C(F)(F)F
Structure:
CAS RN: 74585-98-1
CAS Name: 4-quinolinecarbothioamide
OPENEYE Name: quinoline-4-carbothioamide
IUPAC Name: quinoline-4-carbothioamide
SYSTEMATIC NAME: quinoline-4-carbothioamide
MOLECULAR FORMULA: C10H8N2S
MOLECULAR WEIGHT: 188.24892
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=S)N
Structure:
CAS RN: 7645-23-0
CAS Name: (2E)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
OPENEYE Name: (2E)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
IUPAC Name: (2E)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
SYSTEMATIC NAME: (2E)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
MOLECULAR FORMULA: C18H22O5
MOLECULAR WEIGHT: 318.36428
SMILES: CC1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O
Structure:
CAS RN: 5102-79-4
CAS Name: (3Z)-3-hydrazinylidene-2-(1-oxo-2,2-diphenylethyl)-1-indenone
OPENEYE Name: (3Z)-2-(2,2-diphenylacetyl)-3-hydrazinylidene-indan-1-one
IUPAC Name: (3Z)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
SYSTEMATIC NAME: (3Z)-3-diazanylidene-2-(2,2-diphenylethanoyl)inden-1-one
MOLECULAR FORMULA: C23H18N2O2
MOLECULAR WEIGHT: 354.40122
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3/C(=N/N)/C4=CC=CC=C4C3=O
Structure:
CAS RN: 16430-09-4
CAS Name: (4Z)-3-methyl-4-(phenylmethylene)-5-isoxazolone
OPENEYE Name: (4Z)-4-benzylidene-3-methyl-isoxazol-5-one
IUPAC Name: (4Z)-4-benzylidene-3-methyl-1,2-oxazol-5-one
SYSTEMATIC NAME: (4Z)-3-methyl-4-(phenylmethylidene)-1,2-oxazol-5-one
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC\1=NOC(=O)/C1=C\C2=CC=CC=C2
Structure:
CAS RN: 63200-54-4
CAS Name: 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
OPENEYE Name: 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
IUPAC Name: 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-5H-pyrrolo[3,2-d]pyrimidine
MOLECULAR FORMULA: C6H3Cl2N3
MOLECULAR WEIGHT: 188.01412
SMILES: C1=CNC2=C1N=C(N=C2Cl)Cl
Structure:
CAS RN: 1204-06-4
CAS Name: (E)-3-(1H-indol-3-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
Structure:
CAS RN: 29953-71-7
CAS Name: (E)-3-(1H-indol-3-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-indol-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O
Structure:
CAS RN: 2216-75-3
CAS Name: N-[(Z)-2-furanylmethylideneamino]aniline
OPENEYE Name: N-[(Z)-2-furylmethyleneamino]aniline
IUPAC Name: N-[(Z)-furan-2-ylmethylideneamino]aniline
SYSTEMATIC NAME: N-[(Z)-furan-2-ylmethylideneamino]aniline
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C(C=C1)N/N=C\C2=CC=CO2
Structure:
CAS RN: 1467-15-8
CAS Name: (2E)-2-(phenylmethylene)-1-cyclohexanone
OPENEYE Name: (2E)-2-benzylidenecyclohexanone
IUPAC Name: (2E)-2-benzylidenecyclohexan-1-one
SYSTEMATIC NAME: (2E)-2-(phenylmethylidene)cyclohexan-1-one
MOLECULAR FORMULA: C13H14O
MOLECULAR WEIGHT: 186.24966
SMILES: C1CCC(=O)/C(=C/C2=CC=CC=C2)/C1
Structure:
CAS RN: 774-73-2
CAS Name: (E)-3-(2,4-difluorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,4-difluorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,4-difluorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,4-bis(fluoranyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H6F2O2
MOLECULAR WEIGHT: 184.139546
SMILES: C1=CC(=C(C=C1F)F)/C=C/C(=O)O
Structure:
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