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

Systemtic Name: 7-[2-oxidanylidene-7-(3-oxidanylidene-4-phenyl-butyl)azepan-1-yl]hept-5-ynoic acid Openeye Name: 7-[2-oxo-7-(3-oxo-4-phenyl-butyl)azepan-1-yl]hept-5-ynoic acid CAS Name: 7-[2-oxo-7-(3-oxo-4-phenylbutyl)-1-azepanyl]-5-heptynoic acid IUPAC Name: 7-[2-oxo-7-(3-oxo-4-phenylbutyl)azepan-1-yl]hept-5-ynoic acid Traditional Name: 7-[2-keto-7-(3-keto-4-phenyl-butyl)azepan-1-yl]hept-5-ynoic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/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/h3-5,10-11,20H,1,6-8,12-18H2,(H,27,28)