[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=NC=CN=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=NC=CN=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-28-20-11-17(7-8-19(20)29-14-16-5-3-2-4-6-16)12-25-21(26)15-30-22(27)18-13-23-9-10-24-18/h2-11,13H,12,14-15H2,1H3,(H,25,26)