(phenylmethyl) 8-[2-aminocarbonyl-6-(butanoylamino)phenyl]octanoate

Systemtic Name: (phenylmethyl) 8-[2-aminocarbonyl-6-(butanoylamino)phenyl]octanoate Openeye Name: benzyl 8-[2-(butanoylamino)-6-carbamoyl-phenyl]octanoate CAS Name: 8-[2-carbamoyl-6-(1-oxobutylamino)phenyl]octanoic acid (phenylmethyl) ester IUPAC Name: benzyl 8-[2-(butanoylamino)-6-carbamoylphenyl]octanoate Traditional Name: 8-(2-butyramido-6-carbamoyl-phenyl)caprylic acid benzyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1CCCCCCCC(=O)OCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1CCCCCCCC(=O)OCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C26H34N2O4/c1-2-12-24(29)28-23-17-11-16-22(26(27)31)21(23)15-9-4-3-5-10-18-25(30)32-19-20-13-7-6-8-14-20/h6-8,11,13-14,16-17H,2-5,9-10,12,15,18-19H2,1H3,(H2,27,31)(H,28,29)