(phenylmethyl) 4-acetamido-5-(octylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 4-acetamido-5-(octylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-acetamido-5-(octylamino)-5-oxo-pentanoate CAS Name: 4-acetamido-5-(octylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetamido-5-(octylamino)-5-oxopentanoate Traditional Name: 4-acetamido-5-keto-5-(octylamino)valeric acid benzyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C22H34N2O4/c1-3-4-5-6-7-11-16-23-22(27)20(24-18(2)25)14-15-21(26)28-17-19-12-9-8-10-13-19/h8-10,12-13,20H,3-7,11,14-17H2,1-2H3,(H,23,27)(H,24,25)