2-[3-[6-oxidanylidene-5-(phenethylamino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyrazin-2-yl]ethanoic acid

Systemtic Name: 2-[3-[6-oxidanylidene-5-(phenethylamino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyrazin-2-yl]ethanoic acid Openeye Name: 2-[3-[6-oxo-5-(phenethylamino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyrazin-2-yl]acetic acid CAS Name: 2-[3-[6-oxo-5-(phenethylamino)-1-cyclohexa-1,3-dienyl]-1,2-dihydropyrazin-2-yl]acetic acid IUPAC Name: 2-[3-[6-oxo-5-(phenethylamino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyrazin-2-yl]acetic acid Traditional Name: 2-[3-[6-keto-5-(phenethylamino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyrazin-2-yl]acetic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2C=CC=C(C2=O)C3=NC=CNC3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2C=CC=C(C2=O)C3=NC=CNC3CC(=O)O

InChI

InChI=1S/C20H21N3O3/c24-18(25)13-17-19(23-12-11-22-17)15-7-4-8-16(20(15)26)21-10-9-14-5-2-1-3-6-14/h1-8,11-12,16-17,21-22H,9-10,13H2,(H,24,25)