7-[2-oxidanylidene-6-[(E)-3-oxidanylidene-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoic acid

Systemtic Name: 7-[2-oxidanylidene-6-[(E)-3-oxidanylidene-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoic acid Openeye Name: 7-[2-oxo-6-[(E)-3-oxo-4-phenyl-but-1-enyl]-1-piperidyl]hept-5-ynoic acid CAS Name: 7-[2-oxo-6-[(E)-3-oxo-4-phenylbut-1-enyl]-1-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[2-oxo-6-[(E)-3-oxo-4-phenylbut-1-enyl]piperidin-1-yl]hept-5-ynoic acid Traditional Name: 7-[2-keto-6-[(E)-3-keto-4-phenyl-but-1-enyl]piperidino]hept-5-ynoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC#CCCCC(=O)O)C=CC(=O)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c24-20(17-18-9-4-3-5-10-18)15-14-19-11-8-12-21(25)23(19)16-7-2-1-6-13-22(26)27/h3-5,9-10,14-15,19H,1,6,8,11-13,16-17H2,(H,26,27)/b15-14+