(phenylmethyl) 3-[5-methyl-2-oxidanylidene-6-[4-(phenylmethoxycarbonylamino)butyl]-1H-pyrazin-3-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[5-methyl-2-oxidanylidene-6-[4-(phenylmethoxycarbonylamino)butyl]-1H-pyrazin-3-yl]propanoate Openeye Name: benzyl 3-[6-[4-(benzyloxycarbonylamino)butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]propanoate CAS Name: 3-[5-methyl-2-oxo-6-[4-(phenylmethoxycarbonylamino)butyl]-1H-pyrazin-3-yl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[5-methyl-2-oxo-6-[4-(phenylmethoxycarbonylamino)butyl]-1H-pyrazin-3-yl]propanoate Traditional Name: 3-[6-[4-(benzyloxycarbonylamino)butyl]-2-keto-5-methyl-1H-pyrazin-3-yl]propionic acid benzyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCC(=O)OCC2=CC=CC=C2)CCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCC(=O)OCC2=CC=CC=C2)CCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5/c1-20-23(14-8-9-17-28-27(33)35-19-22-12-6-3-7-13-22)30-26(32)24(29-20)15-16-25(31)34-18-21-10-4-2-5-11-21/h2-7,10-13H,8-9,14-19H2,1H3,(H,28,33)(H,30,32)