methyl 2-[4-(6-chloranylpyridin-3-yl)carbonyl-2-oxidanylidene-3-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(6-chloranylpyridin-3-yl)carbonyl-2-oxidanylidene-3-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(6-chloropyridine-3-carbonyl)-3-(2-hydroxy-3-phenoxy-propyl)-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-3-(2-hydroxy-3-phenoxypropyl)-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloropyridine-3-carbonyl)-3-(2-hydroxy-3-phenoxypropyl)-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-(6-chloronicotinoyl)-3-(2-hydroxy-3-phenoxy-propyl)-2-keto-piperazino]acetic acid methyl ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(C(C1=O)CC(COC2=CC=CC=C2)O)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1CCN(C(C1=O)CC(COC2=CC=CC=C2)O)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O6/c1-31-20(28)13-25-9-10-26(21(29)15-7-8-19(23)24-12-15)18(22(25)30)11-16(27)14-32-17-5-3-2-4-6-17/h2-8,12,16,18,27H,9-11,13-14H2,1H3