ethyl 2-[(7-ethoxy-7-oxidanylidene-heptyl)-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]decanoate

Systemtic Name: ethyl 2-[(7-ethoxy-7-oxidanylidene-heptyl)-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]decanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)acetyl]-(7-ethoxy-7-oxo-heptyl)amino]decanoate CAS Name: 2-[(7-ethoxy-7-oxoheptyl)-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]decanoic acid ethyl ester IUPAC Name: ethyl 2-[(7-ethoxy-7-oxoheptyl)-[2-(phenylmethoxycarbonylamino)acetyl]amino]decanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]-(7-ethoxy-7-keto-heptyl)amino]capric acid ethyl ester Formula: C31H50N2O7 MolecularWeight: 562.7379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)N(CCCCCCC(=O)OCC)C(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)N(CCCCCCC(=O)OCC)C(=O)CNC(=O)OCC1=CC=CC=C1

InChI

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