pentyl 4-acetamido-4-(3-heptoxyphenyl)butanoate

Systemtic Name: pentyl 4-acetamido-4-(3-heptoxyphenyl)butanoate Openeye Name: pentyl 4-acetamido-4-(3-heptoxyphenyl)butanoate CAS Name: 4-acetamido-4-(3-heptoxyphenyl)butanoic acid pentyl ester IUPAC Name: pentyl 4-acetamido-4-(3-heptoxyphenyl)butanoate Traditional Name: 4-acetamido-4-(3-heptoxyphenyl)butyric acid amyl ester Formula: C24H39NO4 MolecularWeight: 405.57076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)C(CCC(=O)OCCCCC)NC(=O)C

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)C(CCC(=O)OCCCCC)NC(=O)C

InChI

InChI=1S/C24H39NO4/c1-4-6-8-9-11-17-28-22-14-12-13-21(19-22)23(25-20(3)26)15-16-24(27)29-18-10-7-5-2/h12-14,19,23H,4-11,15-18H2,1-3H3,(H,25,26)