8-(4-phenylmethoxyphenoxy)octyl 2-[4-chloranylbutyl(methyl)amino]-3-phenyl-propanoate

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl 2-[4-chloranylbutyl(methyl)amino]-3-phenyl-propanoate Openeye Name: 8-(4-benzyloxyphenoxy)octyl 2-[4-chlorobutyl(methyl)amino]-3-phenyl-propanoate CAS Name: 2-[4-chlorobutyl(methyl)amino]-3-phenylpropanoic acid 8-(4-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl 2-[4-chlorobutyl(methyl)amino]-3-phenylpropanoate Traditional Name: 2-[4-chlorobutyl(methyl)amino]-3-phenyl-propionic acid 8-(4-benzoxyphenoxy)octyl ester Formula: C35H46ClNO4 MolecularWeight: 580.19704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCl)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CN(CCCCCl)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C35H46ClNO4/c1-37(25-13-12-24-36)34(28-30-16-8-6-9-17-30)35(38)40-27-15-5-3-2-4-14-26-39-32-20-22-33(23-21-32)41-29-31-18-10-7-11-19-31/h6-11,16-23,34H,2-5,12-15,24-29H2,1H3