(phenylmethyl) 5-azanyl-2-(decan-3-ylamino)-2-methanoyl-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-azanyl-2-(decan-3-ylamino)-2-methanoyl-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-amino-2-(1-ethyloctylamino)-2-formyl-5-oxo-pentanoate CAS Name: 5-amino-2-(decan-3-ylamino)-2-formyl-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-2-(decan-3-ylamino)-2-formyl-5-oxopentanoate Traditional Name: 5-amino-2-(1-ethyloctylamino)-2-formyl-5-keto-valeric acid benzyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)NC(CCC(=O)N)(C=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(CC)NC(CCC(=O)N)(C=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H36N2O4/c1-3-5-6-7-11-14-20(4-2)25-23(18-26,16-15-21(24)27)22(28)29-17-19-12-9-8-10-13-19/h8-10,12-13,18,20,25H,3-7,11,14-17H2,1-2H3,(H2,24,27)