hexadecyl 2-[naphthalen-2-ylmethyl-(phenylmethyl)amino]ethanoate hydrochloride

Systemtic Name: hexadecyl 2-[naphthalen-2-ylmethyl-(phenylmethyl)amino]ethanoate hydrochloride Openeye Name: hexadecyl 2-[benzyl(2-naphthylmethyl)amino]acetate hydrochloride CAS Name: 2-[2-naphthalenylmethyl-(phenylmethyl)amino]acetic acid hexadecyl ester hydrochloride IUPAC Name: hexadecyl 2-[benzyl(naphthalen-2-ylmethyl)amino]acetate hydrochloride Traditional Name: 2-[benzyl(2-naphthylmethyl)amino]acetic acid cetyl ester hydrochloride Formula: C36H52ClNO2 MolecularWeight: 566.25658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2.Cl

InChI

InChI=1S/C36H51NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-27-39-36(38)31-37(29-32-21-16-15-17-22-32)30-33-25-26-34-23-18-19-24-35(34)28-33;/h15-19,21-26,28H,2-14,20,27,29-31H2,1H3;1H