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

Systemtic Name: (E)-4-[3-(4-cyano-4-phenyl-piperidin-1-yl)propoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(4-cyano-4-phenyl-1-piperidyl)propoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(4-cyano-4-phenyl-1-piperidinyl)propoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(4-cyano-4-phenylpiperidin-1-yl)propoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(4-cyano-4-phenyl-piperidino)propoxy]-4-keto-but-2-enoic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCOC(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H22N2O4/c20-15-19(16-5-2-1-3-6-16)9-12-21(13-10-19)11-4-14-25-18(24)8-7-17(22)23/h1-3,5-8H,4,9-14H2,(H,22,23)/b8-7+