5-[bis(phenylmethyl)amino]-2-octadecoxy-pentanoate hydrochloride

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-octadecoxy-pentanoate hydrochloride Openeye Name: 5-(dibenzylamino)-2-octadecoxy-pentanoate hydrochloride CAS Name: 5-[bis(phenylmethyl)amino]-2-octadecoxypentanoate hydrochloride IUPAC Name: 5-(dibenzylamino)-2-octadecoxypentanoate hydrochloride Traditional Name: 5-(dibenzylamino)-2-stearyloxy-valerate hydrochloride Formula: C37H59ClNO3- MolecularWeight: 601.32226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)[O-].Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)[O-].Cl

InChI

InChI=1S/C37H59NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-41-36(37(39)40)29-24-30-38(32-34-25-19-17-20-26-34)33-35-27-21-18-22-28-35;/h17-22,25-28,36H,2-16,23-24,29-33H2,1H3,(H,39,40);1H/p-1