ditert-butyl 4-[(3-oxidanylidene-1-phenylmethoxycarbonyl-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 4-[(3-oxidanylidene-1-phenylmethoxycarbonyl-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylate Openeye Name: ditert-butyl 4-[(1-benzyloxycarbonyl-3-oxo-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(3-oxo-1-phenylmethoxycarbonyl-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[(3-oxo-1-phenylmethoxycarbonyl-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[(1-carbobenzoxy-3-keto-2H-pyrazin-4-yl)methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester Formula: C28H39N3O7 MolecularWeight: 529.62516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O7/c1-26(2,3)37-23(33)28(12-14-29(15-13-28)25(35)38-27(4,5)6)20-31-17-16-30(18-22(31)32)24(34)36-19-21-10-8-7-9-11-21/h7-11,16-17H,12-15,18-20H2,1-6H3