[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] pyrazine-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H17N3O3/c20-15(12-22-16(21)14-11-17-9-10-18-14)19-8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,20)