(E)-4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]but-2-enoic acid Openeye Name: (E)-4-(4-benzyl-1-piperidyl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]-2-butenoic acid IUPAC Name: (E)-4-(4-benzylpiperidin-1-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-benzylpiperidino)-4-keto-but-2-enoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H19NO3/c18-15(6-7-16(19)20)17-10-8-14(9-11-17)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,19,20)/b7-6+