pentyl 4-acetamido-4-(4-octanoylphenyl)butanoate

Systemtic Name: pentyl 4-acetamido-4-(4-octanoylphenyl)butanoate Openeye Name: pentyl 4-acetamido-4-(4-octanoylphenyl)butanoate CAS Name: 4-acetamido-4-[4-(1-oxooctyl)phenyl]butanoic acid pentyl ester IUPAC Name: pentyl 4-acetamido-4-(4-octanoylphenyl)butanoate Traditional Name: 4-acetamido-4-(4-caprylylphenyl)butyric acid amyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)C(CCC(=O)OCCCCC)NC(=O)C

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)C(CCC(=O)OCCCCC)NC(=O)C

InChI

InChI=1S/C25H39NO4/c1-4-6-8-9-10-12-24(28)22-15-13-21(14-16-22)23(26-20(3)27)17-18-25(29)30-19-11-7-5-2/h13-16,23H,4-12,17-19H2,1-3H3,(H,26,27)