5-methyl-3-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 5-methyl-3-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-methyl-octanoic acid CAS Name: 5-methyl-3-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 5-methyl-3-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-methyl-caprylic acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC(C)CC(CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO4/c1-3-7-13(2)10-15(11-16(19)20)18-17(21)22-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,20)