2-[6-methyl-3-[[1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-[[1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[6-methyl-2-oxo-3-[(1-tetrahydropyran-4-ylpyrrolidin-2-yl)methylamino]pyrazin-1-yl]acetic acid CAS Name: 2-[6-methyl-3-[[1-(4-oxanyl)-2-pyrrolidinyl]methylamino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-methyl-3-[[1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-keto-6-methyl-3-[(1-tetrahydropyran-4-ylpyrrolidin-2-yl)methylamino]pyrazin-1-yl]acetic acid Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)O)NCC2CCCN2C3CCOCC3

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)O)NCC2CCCN2C3CCOCC3

InChI

InChI=1S/C17H26N4O4/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-3-2-6-20(14)13-4-7-25-8-5-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)