(Z)-7-[2-oxidanylidene-7-(3-oxidanyl-4-phenyl-butyl)azepan-1-yl]hept-5-enoic acid

Systemtic Name: (Z)-7-[2-oxidanylidene-7-(3-oxidanyl-4-phenyl-butyl)azepan-1-yl]hept-5-enoic acid Openeye Name: (Z)-7-[2-(3-hydroxy-4-phenyl-butyl)-7-oxo-azepan-1-yl]hept-5-enoic acid CAS Name: (Z)-7-[2-(3-hydroxy-4-phenylbutyl)-7-oxo-1-azepanyl]-5-heptenoic acid IUPAC Name: (Z)-7-[2-(3-hydroxy-4-phenylbutyl)-7-oxoazepan-1-yl]hept-5-enoic acid Traditional Name: (Z)-7-[2-(3-hydroxy-4-phenyl-butyl)-7-keto-azepan-1-yl]hept-5-enoic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(C1)CCC(CC2=CC=CC=C2)O)CC=CCCCC(=O)O

Isomeric SMILES

C1CCC(=O)N(C(C1)CCC(CC2=CC=CC=C2)O)C/C=C\CCCC(=O)O

InChI

InChI=1S/C23H33NO4/c25-21(18-19-10-4-3-5-11-19)16-15-20-12-7-8-13-22(26)24(20)17-9-2-1-6-14-23(27)28/h2-5,9-11,20-21,25H,1,6-8,12-18H2,(H,27,28)/b9-2-