ethyl 4-[(6-methyl-6-oxidanyl-hexadecyl)amino]benzoate

Systemtic Name: ethyl 4-[(6-methyl-6-oxidanyl-hexadecyl)amino]benzoate Openeye Name: ethyl 4-[(6-hydroxy-6-methyl-hexadecyl)amino]benzoate CAS Name: 4-[(6-hydroxy-6-methylhexadecyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-hydroxy-6-methylhexadecyl)amino]benzoate Traditional Name: 4-[(6-hydroxy-6-methyl-hexadecyl)amino]benzoic acid ethyl ester Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(CCCCCNC1=CC=C(C=C1)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCC(C)(CCCCCNC1=CC=C(C=C1)C(=O)OCC)O

InChI

InChI=1S/C26H45NO3/c1-4-6-7-8-9-10-11-13-20-26(3,29)21-14-12-15-22-27-24-18-16-23(17-19-24)25(28)30-5-2/h16-19,27,29H,4-15,20-22H2,1-3H3