2-[5-(hexadecylamino)-2-oxaldehydoyl-phenyl]ethanoic acid hydrochloride

Systemtic Name: 2-[5-(hexadecylamino)-2-oxaldehydoyl-phenyl]ethanoic acid hydrochloride Openeye Name: 2-[5-(hexadecylamino)-2-oxaldehydoyl-phenyl]acetic acid hydrochloride CAS Name: 2-[5-(hexadecylamino)-2-oxaldehydoylphenyl]acetic acid hydrochloride IUPAC Name: 2-[5-(hexadecylamino)-2-oxaldehydoylphenyl]acetic acid hydrochloride Traditional Name: 2-[5-(cetylamino)-2-glyoxyloyl-phenyl]acetic acid hydrochloride Formula: C26H42ClNO4 MolecularWeight: 468.06898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)C=O)CC(=O)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)C=O)CC(=O)O.Cl

InChI

InChI=1S/C26H41NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23-16-17-24(25(29)21-28)22(19-23)20-26(30)31;/h16-17,19,21,27H,2-15,18,20H2,1H3,(H,30,31);1H