phenethyl 4-(hexadecylamino)-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-(hexadecylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(hexadecylamino)-4-oxo-butanoate CAS Name: 4-(hexadecylamino)-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(hexadecylamino)-4-oxobutanoate Traditional Name: 4-(cetylamino)-4-keto-butyric acid phenethyl ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C28H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-29-27(30)21-22-28(31)32-25-23-26-19-16-15-17-20-26/h15-17,19-20H,2-14,18,21-25H2,1H3,(H,29,30)