(phenylmethyl) 4-[(4-methoxycarbonylcyclohexyl)methyl]-3-oxidanylidene-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-methoxycarbonylcyclohexyl)methyl]-3-oxidanylidene-2H-pyrazine-1-carboxylate Openeye Name: benzyl 4-[(4-methoxycarbonylcyclohexyl)methyl]-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-[(4-methoxycarbonylcyclohexyl)methyl]-3-oxo-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-methoxycarbonylcyclohexyl)methyl]-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: 4-[(4-carbomethoxycyclohexyl)methyl]-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCC(CC1)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5/c1-27-20(25)18-9-7-16(8-10-18)13-22-11-12-23(14-19(22)24)21(26)28-15-17-5-3-2-4-6-17/h2-6,11-12,16,18H,7-10,13-15H2,1H3