methyl 3-[[(4-piperidin-1-ylphenyl)carbonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[[(4-piperidin-1-ylphenyl)carbonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[[[4-(1-piperidyl)benzoyl]amino]methyl]-5-(pyrazine-2-carbonylamino)benzoate CAS Name: 3-[[[oxo-[4-(1-piperidinyl)phenyl]methyl]amino]methyl]-5-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-piperidin-1-ylbenzoyl)amino]methyl]-5-(pyrazine-2-carbonylamino)benzoate Traditional Name: 3-[[(4-piperidinobenzoyl)amino]methyl]-5-(pyrazinoylamino)benzoic acid methyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)CNC(=O)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)CNC(=O)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C26H27N5O4/c1-35-26(34)20-13-18(14-21(15-20)30-25(33)23-17-27-9-10-28-23)16-29-24(32)19-5-7-22(8-6-19)31-11-3-2-4-12-31/h5-10,13-15,17H,2-4,11-12,16H2,1H3,(H,29,32)(H,30,33)