Product OPENEYE NAME: 7-isocyanatoheptan-1-amine
CAS Name: 7-isocyanato-1-heptanamine
IUPAC NAME: 7-isocyanatoheptan-1-amine
SYSTEMATIC NAME: 7-isocyanatoheptan-1-amine
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: C(CCCN)CCCN=C=O
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Product OPENEYE NAME: (1-hexyl-12-isocyanato-dodecoxy)methylbenzene
CAS Name: 18-isocyanatooctadecan-7-yloxymethylbenzene
IUPAC NAME: 18-isocyanatooctadecan-7-yloxymethylbenzene
SYSTEMATIC NAME: 18-isocyanatooctadecan-7-yloxymethylbenzene
MOLECULAR FORMULA: C26H43NO2
MOLECULAR WEIGHT: 401.62512
SMILES: CCCCCCC(CCCCCCCCCCCN=C=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: 2-[[acetyl-(1-acetyl-2,3-dihydroxy-propyl)phosphoryl]amino]-3-hydroxy-propanoic acid
CAS Name: 2-[[acetyl-(1,2-dihydroxy-4-oxopentan-3-yl)phosphoryl]amino]-3-hydroxypropanoic acid
IUPAC NAME: 2-[[acetyl-(1,2-dihydroxy-4-oxopentan-3-yl)phosphoryl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-[[[1,2-bis(oxidanyl)-4-oxidanylidene-pentan-3-yl]-ethanoyl-phosphoryl]amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C10H18NO8P
MOLECULAR WEIGHT: 311.225581
SMILES: CC(=O)C(C(CO)O)P(=O)(C(=O)C)NC(CO)C(=O)O
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Product OPENEYE NAME: 1-(isocyanatomethyl)heptoxymethylbenzene
CAS Name: 1-isocyanatooctan-2-yloxymethylbenzene
IUPAC NAME: 1-isocyanatooctan-2-yloxymethylbenzene
SYSTEMATIC NAME: 1-isocyanatooctan-2-yloxymethylbenzene
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCCCCCC(CN=C=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) 3-methylbutanoate
CAS Name: 3-methylbutanoic acid (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) ester
IUPAC NAME: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) 3-methylbutanoate
SYSTEMATIC NAME: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) 3-methylbutanoate
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: CC(C)CC(=O)OC1=CC2=C(C=C1)N(C3C2(CCN3C)C)C
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Product OPENEYE NAME: benzyl N-(5-isocyanatopentyl)-N-methyl-carbamate
CAS Name: N-(5-isocyanatopentyl)-N-methylcarbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(5-isocyanatopentyl)-N-methylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-(5-isocyanatopentyl)-N-methyl-carbamate
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CN(CCCCCN=C=O)C(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: (2-isocyanato-1-methyl-ethoxy)methylbenzene
CAS Name: 1-isocyanatopropan-2-yloxymethylbenzene
IUPAC NAME: 1-isocyanatopropan-2-yloxymethylbenzene
SYSTEMATIC NAME: 1-isocyanatopropan-2-yloxymethylbenzene
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC(CN=C=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: N-butyl-N-heptyl-heptan-1-amine cyanate
CAS Name: N-butyl-N-heptyl-1-heptanamine cyanate
IUPAC NAME: N-butyl-N-heptylheptan-1-amine cyanate
SYSTEMATIC NAME: N-butyl-N-heptyl-heptan-1-amine cyanate
MOLECULAR FORMULA: C19H39N2O-
MOLECULAR WEIGHT: 311.52576
SMILES: CCCCCCCN(CCCC)CCCCCCC.C(#N)[O-]
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Product OPENEYE NAME: heptyl 2-isocyano-3-methyl-pentanoate
CAS Name: 2-isocyano-3-methylpentanoic acid heptyl ester
IUPAC NAME: heptyl 2-isocyano-3-methylpentanoate
SYSTEMATIC NAME: heptyl 2-isocyano-3-methyl-pentanoate
MOLECULAR FORMULA: C14H25NO2
MOLECULAR WEIGHT: 239.3538
SMILES: CCCCCCCOC(=O)C(C(C)CC)[N+]#[C-]
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Product OPENEYE NAME: benzyl N-(7-isocyanatoheptyl)-N-methyl-carbamate
CAS Name: N-(7-isocyanatoheptyl)-N-methylcarbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(7-isocyanatoheptyl)-N-methylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-(7-isocyanatoheptyl)-N-methyl-carbamate
MOLECULAR FORMULA: C17H24N2O3
MOLECULAR WEIGHT: 304.38406
SMILES: CN(CCCCCCCN=C=O)C(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: 2-isocyano-3-methyl-pentanoate
CAS Name: 2-isocyano-3-methylpentanoate
IUPAC NAME: 2-isocyano-3-methylpentanoate
SYSTEMATIC NAME: 2-isocyano-3-methyl-pentanoate
MOLECULAR FORMULA: C7H10NO2-
MOLECULAR WEIGHT: 140.1598
SMILES: CCC(C)C(C(=O)[O-])[N+]#[C-]
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Product OPENEYE NAME: 2-isocyano-3-methyl-pentanoic acid
CAS Name: 2-isocyano-3-methylpentanoic acid
IUPAC NAME: 2-isocyano-3-methylpentanoic acid
SYSTEMATIC NAME: 2-isocyano-3-methyl-pentanoic acid
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CCC(C)C(C(=O)O)[N+]#[C-]
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Product OPENEYE NAME: 3-[acetyl(2,2-diisocyanatoethyl)phosphoryl]-4,5-dihydroxy-pentan-2-one
CAS Name: 3-[acetyl(2,2-diisocyanatoethyl)phosphoryl]-4,5-dihydroxy-2-pentanone
IUPAC NAME: 3-[acetyl(2,2-diisocyanatoethyl)phosphoryl]-4,5-dihydroxypentan-2-one
SYSTEMATIC NAME: 3-[2,2-diisocyanatoethyl(ethanoyl)phosphoryl]-4,5-bis(oxidanyl)pentan-2-one
MOLECULAR FORMULA: C11H15N2O7P
MOLECULAR WEIGHT: 318.219761
SMILES: CC(=O)C(C(CO)O)P(=O)(CC(N=C=O)N=C=O)C(=O)C
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Product OPENEYE NAME: 1-isocyanato-N-methyl-heptan-1-amine
CAS Name: 1-isocyanato-N-methyl-1-heptanamine
IUPAC NAME: 1-isocyanato-N-methylheptan-1-amine
SYSTEMATIC NAME: 1-isocyanato-N-methyl-heptan-1-amine
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: CCCCCCC(NC)N=C=O
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Product OPENEYE NAME: benzyl 2-isocyano-3-methyl-pentanoate
CAS Name: 2-isocyano-3-methylpentanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-isocyano-3-methylpentanoate
SYSTEMATIC NAME: (phenylmethyl) 2-isocyano-3-methyl-pentanoate
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCC(C)C(C(=O)OCC1=CC=CC=C1)[N+]#[C-]
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Product OPENEYE NAME: (1-benzyloxy-2-isocyanato-1-methyl-ethyl)benzene
CAS Name: (1-isocyanato-2-phenylmethoxypropan-2-yl)benzene
IUPAC NAME: (1-isocyanato-2-phenylmethoxypropan-2-yl)benzene
SYSTEMATIC NAME: (1-isocyanato-2-phenylmethoxy-propan-2-yl)benzene
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CC(CN=C=O)(C1=CC=CC=C1)OCC2=CC=CC=C2
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Product OPENEYE NAME: 2-phenylpropylcarbamoperoxoic acid
CAS Name: 2-phenylpropylcarbamoperoxoic acid
IUPAC NAME: 2-phenylpropylcarbamoperoxoic acid
SYSTEMATIC NAME: 2-phenylpropylcarbamoperoxoic acid
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC(CNC(=O)OO)C1=CC=CC=C1
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