3-oxidanylidene-8-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 3-oxidanylidene-8-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 8-(benzyloxycarbonylamino)-3-oxo-octanoic acid CAS Name: 3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 8-(benzyloxycarbonylamino)-3-keto-caprylic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)CC(=O)O

InChI

InChI=1S/C16H21NO5/c18-14(11-15(19)20)9-5-2-6-10-17-16(21)22-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,21)(H,19,20)