2-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]guanidine hydrochloride

Systemtic Name: 2-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]guanidine hydrochloride Openeye Name: 2-[(1S)-2-[8-(4-benzyloxyphenoxy)octoxy]-1-phenyl-ethyl]guanidine hydrochloride CAS Name: 2-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]guanidine hydrochloride IUPAC Name: 2-[(1S)-1-phenyl-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]guanidine hydrochloride Traditional Name: 2-[(1S)-2-[8-(4-benzoxyphenoxy)octoxy]-1-phenyl-ethyl]guanidine hydrochloride Formula: C30H40ClN3O3 MolecularWeight: 526.1099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCCCCCOCC(C3=CC=CC=C3)N=C(N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCCCCCOC[C@H](C3=CC=CC=C3)N=C(N)N.Cl

InChI

InChI=1S/C30H39N3O3.ClH/c31-30(32)33-29(26-15-9-6-10-16-26)24-34-21-11-3-1-2-4-12-22-35-27-17-19-28(20-18-27)36-23-25-13-7-5-8-14-25;/h5-10,13-20,29H,1-4,11-12,21-24H2,(H4,31,32,33);1H/t29-;/m1./s1