2-[(Z)-2-oxidanylidene-3-phenyl-4-piperidin-1-yl-but-3-enoyl]benzoic acid

Systemtic Name: 2-[(Z)-2-oxidanylidene-3-phenyl-4-piperidin-1-yl-but-3-enoyl]benzoic acid Openeye Name: 2-[(Z)-2-oxo-3-phenyl-4-(1-piperidyl)but-3-enoyl]benzoic acid CAS Name: 2-[(Z)-1,2-dioxo-3-phenyl-4-(1-piperidinyl)but-3-enyl]benzoic acid IUPAC Name: 2-[(Z)-2-oxo-3-phenyl-4-piperidin-1-ylbut-3-enoyl]benzoic acid Traditional Name: 2-[(Z)-2-keto-3-phenyl-4-piperidino-but-3-enoyl]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=C(C2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(CC1)/C=C(/C2=CC=CC=C2)\C(=O)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H21NO4/c24-20(17-11-5-6-12-18(17)22(26)27)21(25)19(16-9-3-1-4-10-16)15-23-13-7-2-8-14-23/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,26,27)/b19-15-