Product OPENEYE NAME: 5,5-diethyl-1,3-dioxane
CAS Name: 5,5-diethyl-1,3-dioxane
IUPAC NAME: 5,5-diethyl-1,3-dioxane
SYSTEMATIC NAME: 5,5-diethyl-1,3-dioxane
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCC1(COCOC1)CC
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Product OPENEYE NAME: 6-nitro-3-(4-pyridyl)chromen-2-one
CAS Name: 6-nitro-3-pyridin-4-yl-1-benzopyran-2-one
IUPAC NAME: 6-nitro-3-pyridin-4-ylchromen-2-one
SYSTEMATIC NAME: 6-nitro-3-pyridin-4-yl-chromen-2-one
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C3=CC=NC=C3
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Product OPENEYE NAME: 6-amino-3-(4-pyridyl)chromen-2-one
CAS Name: 6-amino-3-pyridin-4-yl-1-benzopyran-2-one
IUPAC NAME: 6-amino-3-pyridin-4-ylchromen-2-one
SYSTEMATIC NAME: 6-azanyl-3-pyridin-4-yl-chromen-2-one
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC2=C(C=C1N)C=C(C(=O)O2)C3=CC=NC=C3
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Product OPENEYE NAME: 6-nitro-3-(2-pyridyl)chromen-2-one
CAS Name: 6-nitro-3-(2-pyridinyl)-1-benzopyran-2-one
IUPAC NAME: 6-nitro-3-pyridin-2-ylchromen-2-one
SYSTEMATIC NAME: 6-nitro-3-pyridin-2-yl-chromen-2-one
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC=NC(=C1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: 1-(4-chlorophenyl)ethanol
CAS Name: 1-(4-chlorophenyl)ethanol
IUPAC NAME: 1-(4-chlorophenyl)ethanol
SYSTEMATIC NAME: 1-(4-chlorophenyl)ethanol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: CC(C1=CC=C(C=C1)Cl)O
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Product OPENEYE NAME: 1,7-dioxacycloheptadecan-8-one
CAS Name: 1,7-dioxacycloheptadecan-8-one
IUPAC NAME: 1,7-dioxacycloheptadecan-8-one
SYSTEMATIC NAME: 1,7-dioxacycloheptadecan-8-one
MOLECULAR FORMULA: C15H28O3
MOLECULAR WEIGHT: 256.38102
SMILES: C1CCCCC(=O)OCCCCCOCCCC1
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Product OPENEYE NAME: oct-1-en-3-ol
CAS Name: 1-octen-3-ol
IUPAC NAME: oct-1-en-3-ol
SYSTEMATIC NAME: oct-1-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCCC(C=C)O
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Product OPENEYE NAME: 4-hydroxy-3-methyl-butan-2-one
CAS Name: 4-hydroxy-3-methyl-2-butanone
IUPAC NAME: 4-hydroxy-3-methylbutan-2-one
SYSTEMATIC NAME: 3-methyl-4-oxidanyl-butan-2-one
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC(CO)C(=O)C
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Product OPENEYE NAME: 1-[19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]pyrrolidine-2-carboxamide
CAS Name: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrro
IUPAC NAME: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbox
SYSTEMATIC NAME: N-[5-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[[19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,
MOLECULAR FORMULA: C45H63N13O12S2
MOLECULAR WEIGHT: 1042.19162
SMILES: C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN)C(=O)NCC(=O)N
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Product OPENEYE NAME: 6-chloro-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C3H4ClN5
MOLECULAR WEIGHT: 145.55036
SMILES: C1(=NC(=NC(=N1)Cl)N)N
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Product OPENEYE NAME: [4-phenyl-1-(2-phenylethyl)azepan-4-yl] propanoate
CAS Name: propanoic acid [4-phenyl-1-(2-phenylethyl)-4-azepanyl] ester
IUPAC NAME: [4-phenyl-1-(2-phenylethyl)azepan-4-yl] propanoate
SYSTEMATIC NAME: [4-phenyl-1-(2-phenylethyl)azepan-4-yl] propanoate
MOLECULAR FORMULA: C23H29NO2
MOLECULAR WEIGHT: 351.48186
SMILES: CCC(=O)OC1(CCCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
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