(phenylmethyl) 2-[2-[2-methyl-3,4-bis(oxidanylidene)-2H-pyridin-1-yl]ethyl-prop-2-ynyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-methyl-3,4-bis(oxidanylidene)-2H-pyridin-1-yl]ethyl-prop-2-ynyl-amino]ethanoate Openeye Name: benzyl 2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynyl-amino]acetate CAS Name: 2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynylamino]acetate Traditional Name: 2-[2-(3,4-diketo-2-methyl-2H-pyridin-1-yl)ethyl-propargyl-amino]acetic acid benzyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=O)C=CN1CCN(CC#C)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1C(=O)C(=O)C=CN1CCN(CC#C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4/c1-3-10-21(12-13-22-11-9-18(23)20(25)16(22)2)14-19(24)26-15-17-7-5-4-6-8-17/h1,4-9,11,16H,10,12-15H2,2H3