2-[(E)-4-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]but-2-enoxy]ethanoic acid

Systemtic Name: 2-[(E)-4-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]but-2-enoxy]ethanoic acid Openeye Name: 2-[(E)-4-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]but-2-enoxy]acetic acid CAS Name: 2-[(E)-4-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]but-2-enoxy]acetic acid IUPAC Name: 2-[(E)-4-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]but-2-enoxy]acetic acid Traditional Name: 2-[(E)-4-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]but-2-enoxy]acetic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC=CCOCC(=O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

C1CC(N(C(=O)C1)C/C=C/COCC(=O)O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO5/c23-19(15-17-7-2-1-3-8-17)12-11-18-9-6-10-20(24)22(18)13-4-5-14-27-16-21(25)26/h1-5,7-8,11-12,18-19,23H,6,9-10,13-16H2,(H,25,26)/b5-4+,12-11+