2-azanyl-8-[4-(phenylmethyl)phenoxy]octanoic acid

Systemtic Name: 2-azanyl-8-[4-(phenylmethyl)phenoxy]octanoic acid Openeye Name: 2-amino-8-(4-benzylphenoxy)octanoic acid CAS Name: 2-amino-8-[4-(phenylmethyl)phenoxy]octanoic acid IUPAC Name: 2-amino-8-(4-benzylphenoxy)octanoic acid Traditional Name: 2-amino-8-(4-benzylphenoxy)caprylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCCC(C(=O)O)N

InChI

InChI=1S/C21H27NO3/c22-20(21(23)24)10-6-1-2-7-15-25-19-13-11-18(12-14-19)16-17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,1-2,6-7,10,15-16,22H2,(H,23,24)