2-[carboxymethyl-[5-(12-phenoxydodecoxy)-2-phenylmethoxy-phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[5-(12-phenoxydodecoxy)-2-phenylmethoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2-benzyloxy-5-(12-phenoxydodecoxy)benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[oxo-[5-(12-phenoxydodecoxy)-2-phenylmethoxyphenyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[5-(12-phenoxydodecoxy)-2-phenylmethoxybenzoyl]amino]acetic acid Traditional Name: 2-[[2-benzoxy-5-(12-phenoxydodecoxy)benzoyl]-(carboxymethyl)amino]acetic acid Formula: C36H45NO8 MolecularWeight: 619.7444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCCCCCCCCCCCOC3=CC=CC=C3)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCCCCCCCCCCCOC3=CC=CC=C3)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H45NO8/c38-34(39)26-37(27-35(40)41)36(42)32-25-31(21-22-33(32)45-28-29-17-11-9-12-18-29)44-24-16-8-6-4-2-1-3-5-7-15-23-43-30-19-13-10-14-20-30/h9-14,17-22,25H,1-8,15-16,23-24,26-28H2,(H,38,39)(H,40,41)