methyl 2-acetamido-4-(4-octylphenyl)butanoate

Systemtic Name: methyl 2-acetamido-4-(4-octylphenyl)butanoate Openeye Name: methyl 2-acetamido-4-(4-octylphenyl)butanoate CAS Name: 2-acetamido-4-(4-octylphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-(4-octylphenyl)butanoate Traditional Name: 2-acetamido-4-(4-octylphenyl)butyric acid methyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H33NO3/c1-4-5-6-7-8-9-10-18-11-13-19(14-12-18)15-16-20(21(24)25-3)22-17(2)23/h11-14,20H,4-10,15-16H2,1-3H3,(H,22,23)