3-oxidanyl-8-(1-phenylpropoxycarbonylamino)octanoate

Systemtic Name: 3-oxidanyl-8-(1-phenylpropoxycarbonylamino)octanoate Openeye Name: 3-hydroxy-8-(1-phenylpropoxycarbonylamino)octanoate CAS Name: 3-hydroxy-8-[[oxo(1-phenylpropoxy)methyl]amino]octanoate IUPAC Name: 3-hydroxy-8-(1-phenylpropoxycarbonylamino)octanoate Traditional Name: 3-hydroxy-8-(1-phenylpropoxycarbonylamino)caprylate Formula: C18H26NO5- MolecularWeight: 336.40274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OC(=O)NCCCCCC(CC(=O)[O-])O

Isomeric SMILES

CCC(C1=CC=CC=C1)OC(=O)NCCCCCC(CC(=O)[O-])O

InChI

InChI=1S/C18H27NO5/c1-2-16(14-9-5-3-6-10-14)24-18(23)19-12-8-4-7-11-15(20)13-17(21)22/h3,5-6,9-10,15-16,20H,2,4,7-8,11-13H2,1H3,(H,19,23)(H,21,22)/p-1