2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-(homoveratrylamino)-2-keto-6-methyl-pyrazin-1-yl]acetic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H21N3O5/c1-11-9-19-16(17(23)20(11)10-15(21)22)18-7-6-12-4-5-13(24-2)14(8-12)25-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,19)(H,21,22)