2-(2-ethylphenoxy)ethanoic acid; N-methyl-5,6-diphenyl-pyrazin-2-amine

Systemtic Name: 2-(2-ethylphenoxy)ethanoic acid; N-methyl-5,6-diphenyl-pyrazin-2-amine Openeye Name: 2-(2-ethylphenoxy)acetic acid; N-methyl-5,6-diphenyl-pyrazin-2-amine CAS Name: 2-(2-ethylphenoxy)acetic acid; N-methyl-5,6-diphenyl-2-pyrazinamine IUPAC Name: 2-(2-ethylphenoxy)acetic acid; N-methyl-5,6-diphenylpyrazin-2-amine Traditional Name: (5,6-diphenylpyrazin-2-yl)-methyl-amine; 2-(2-ethylphenoxy)acetic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC(=O)O.CNC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1OCC(=O)O.CNC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3.C10H12O3/c1-18-15-12-19-16(13-8-4-2-5-9-13)17(20-15)14-10-6-3-7-11-14;1-2-8-5-3-4-6-9(8)13-7-10(11)12/h2-12H,1H3,(H,18,20);3-6H,2,7H2,1H3,(H,11,12)