5,5-dimethyl-3-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 5,5-dimethyl-3-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5,5-dimethyl-octanoic acid CAS Name: 5,5-dimethyl-3-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 5,5-dimethyl-3-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5,5-dimethyl-caprylic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-4-10-18(2,3)12-15(11-16(20)21)19-17(22)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,19,22)(H,20,21)