diethyl 2-[octyl-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]nonanedioate

Systemtic Name: diethyl 2-[octyl-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]nonanedioate Openeye Name: diethyl 2-[[2-(benzyloxycarbonylamino)acetyl]-octyl-amino]nonanedioate CAS Name: 2-[octyl-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]nonanedioic acid diethyl ester IUPAC Name: diethyl 2-[octyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]nonanedioate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]-octyl-amino]azelaic acid diethyl ester Formula: C31H50N2O7 MolecularWeight: 562.7379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(CCCCCCC(=O)OCC)C(=O)OCC)C(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCN(C(CCCCCCC(=O)OCC)C(=O)OCC)C(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H50N2O7/c1-4-7-8-9-12-18-23-33(28(34)24-32-31(37)40-25-26-19-14-13-15-20-26)27(30(36)39-6-3)21-16-10-11-17-22-29(35)38-5-2/h13-15,19-20,27H,4-12,16-18,21-25H2,1-3H3,(H,32,37)