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

Systemtic Name: (E)-4-[3-(4-cyano-4-phenyl-piperidin-1-yl)-1-phenyl-propoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(4-cyano-4-phenyl-1-piperidyl)-1-phenyl-propoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(4-cyano-4-phenyl-1-piperidinyl)-1-phenylpropoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(4-cyano-4-phenylpiperidin-1-yl)-1-phenylpropoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(4-cyano-4-phenyl-piperidino)-1-phenyl-propoxy]-4-keto-but-2-enoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCC(C3=CC=CC=C3)OC(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCC(C3=CC=CC=C3)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C25H26N2O4/c26-19-25(21-9-5-2-6-10-21)14-17-27(18-15-25)16-13-22(20-7-3-1-4-8-20)31-24(30)12-11-23(28)29/h1-12,22H,13-18H2,(H,28,29)/b12-11+