(E)-4-[[2-(4-ethylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-3-phenyl-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(4-ethylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-3-phenyl-but-2-enoic acid Openeye Name: (E)-4-[2-(4-ethylpiperazin-1-yl)anilino]-4-oxo-3-phenyl-but-2-enoic acid CAS Name: (E)-4-[2-(4-ethyl-1-piperazinyl)anilino]-4-oxo-3-phenyl-2-butenoic acid IUPAC Name: (E)-4-[2-(4-ethylpiperazin-1-yl)anilino]-4-oxo-3-phenylbut-2-enoic acid Traditional Name: (E)-4-[2-(4-ethylpiperazino)anilino]-4-keto-3-phenyl-but-2-enoic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)C(=CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)/C(=C/C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-2-24-12-14-25(15-13-24)20-11-7-6-10-19(20)23-22(28)18(16-21(26)27)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)(H,26,27)/b18-16+