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methyl 2-[4-[[2,4-dimethyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate

methyl 2-[4-[[2,4-dimethyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate

Systemtic Name:methyl 2-[4-[[2,4-dimethyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate
Openeye Name:methyl 2-[4-[[2,4-dimethyl-5-nitro-6-(pentanoylamino)-3-pyridyl]methyl]phenyl]benzoate
CAS Name:2-[4-[[2,4-dimethyl-5-nitro-6-(1-oxopentylamino)-3-pyridinyl]methyl]phenyl]benzoic acid methyl ester
IUPAC Name:methyl 2-[4-[[2,4-dimethyl-5-nitro-6-(pentanoylamino)pyridin-3-yl]methyl]phenyl]benzoate
Traditional Name:2-[4-[[2,4-dimethyl-5-nitro-6-(valerylamino)-3-pyridyl]methyl]phenyl]benzoic acid methyl ester
Formula: C27H29N3O5
MolecularWeight: 475.53626
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)[N+](=O)[O-]


Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)[N+](=O)[O-]


InChI

InChI=1S/C27H29N3O5/c1-5-6-11-24(31)29-26-25(30(33)34)17(2)23(18(3)28-26)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)27(32)35-4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,28,29,31)


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