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

Systemtic Name: (E)-7-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]hept-5-enoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/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/h2-5,7,9-10,14-15,19-20,24H,1,6,8,11-13,16-17H2,(H,26,27)/b7-2+,15-14+