(phenylmethyl) 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-3-oxidanylidene-2H-pyrazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-3-oxidanylidene-2H-pyrazine-1-carboxylate Openeye Name: benzyl 4-[(1-tert-butoxycarbonylpyrrolidin-3-yl)methyl]-3-oxo-2H-pyrazine-1-carboxylate CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]methyl]-3-oxo-2H-pyrazine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-3-oxo-2H-pyrazine-1-carboxylate Traditional Name: 4-[(1-tert-butoxycarbonylpyrrolidin-3-yl)methyl]-3-keto-2H-pyrazine-1-carboxylic acid benzyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5/c1-22(2,3)30-21(28)24-10-9-18(14-24)13-23-11-12-25(15-19(23)26)20(27)29-16-17-7-5-4-6-8-17/h4-8,11-12,18H,9-10,13-16H2,1-3H3