methyl 3-[[(1-phenylcyclohexyl)carbonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[[(1-phenylcyclohexyl)carbonylamino]methyl]-5-(pyrazin-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[[(1-phenylcyclohexanecarbonyl)amino]methyl]-5-(pyrazine-2-carbonylamino)benzoate CAS Name: 3-[[[oxo-(1-phenylcyclohexyl)methyl]amino]methyl]-5-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(1-phenylcyclohexanecarbonyl)amino]methyl]-5-(pyrazine-2-carbonylamino)benzoate Traditional Name: 3-[[(1-phenylcyclohexanecarbonyl)amino]methyl]-5-(pyrazinoylamino)benzoic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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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(CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)CNC(=O)C3(CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-35-25(33)20-14-19(15-22(16-20)31-24(32)23-18-28-12-13-29-23)17-30-26(34)27(10-6-3-7-11-27)21-8-4-2-5-9-21/h2,4-5,8-9,12-16,18H,3,6-7,10-11,17H2,1H3,(H,30,34)(H,31,32)