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

Systemtic Name: (phenylmethyl) 4-benzamido-5-(octylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-benzamido-5-(octylamino)-5-oxo-pentanoate CAS Name: 4-benzamido-5-(octylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzamido-5-(octylamino)-5-oxopentanoate Traditional Name: 4-benzamido-5-keto-5-(octylamino)valeric acid benzyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4/c1-2-3-4-5-6-13-20-28-27(32)24(29-26(31)23-16-11-8-12-17-23)18-19-25(30)33-21-22-14-9-7-10-15-22/h7-12,14-17,24H,2-6,13,18-21H2,1H3,(H,28,32)(H,29,31)