(E)-4-oxidanylidene-4-[3-(4-phenylpiperazin-1-yl)propoxy]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[3-(4-phenylpiperazin-1-yl)propoxy]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(4-phenylpiperazin-1-yl)propoxy]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-(4-phenyl-1-piperazinyl)propoxy]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[3-(4-phenylpiperazin-1-yl)propoxy]but-2-enoic acid Traditional Name: (E)-4-keto-4-[3-(4-phenylpiperazino)propoxy]but-2-enoic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C=CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCCOC(=O)/C=C/C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4/c20-16(21)7-8-17(22)23-14-4-9-18-10-12-19(13-11-18)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,21)/b8-7+