methyl (2S)-2-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: methyl (2S)-2-(phenylmethoxycarbonylamino)octanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)octanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)octanoic acid methyl ester IUPAC Name: methyl (2S)-2-(phenylmethoxycarbonylamino)octanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)caprylic acid methyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO4/c1-3-4-5-9-12-15(16(19)21-2)18-17(20)22-13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1