(E)-4-oxidanylidene-4-[4-oxidanylidene-4-(2-phenyl-2-propan-2-yloxy-piperazin-1-yl)butoxy]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-oxidanylidene-4-(2-phenyl-2-propan-2-yloxy-piperazin-1-yl)butoxy]but-2-enoic acid Openeye Name: (E)-4-[4-(2-isopropoxy-2-phenyl-piperazin-1-yl)-4-oxo-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-oxo-4-(2-phenyl-2-propan-2-yloxy-1-piperazinyl)butoxy]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-oxo-4-(2-phenyl-2-propan-2-yloxypiperazin-1-yl)butoxy]but-2-enoic acid Traditional Name: (E)-4-[4-(2-isopropoxy-2-phenyl-piperazino)-4-keto-butoxy]-4-keto-but-2-enoic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1(CNCCN1C(=O)CCCOC(=O)C=CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC1(CNCCN1C(=O)CCCOC(=O)/C=C/C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O6/c1-16(2)29-21(17-7-4-3-5-8-17)15-22-12-13-23(21)18(24)9-6-14-28-20(27)11-10-19(25)26/h3-5,7-8,10-11,16,22H,6,9,12-15H2,1-2H3,(H,25,26)/b11-10+