8-[(4-phenylmethoxyphenyl)-(3-phenylmethoxyphenyl)carbonyl-amino]octanoic acid

Systemtic Name: 8-[(4-phenylmethoxyphenyl)-(3-phenylmethoxyphenyl)carbonyl-amino]octanoic acid Openeye Name: 8-(4-benzyloxy-N-(3-benzyloxybenzoyl)anilino)octanoic acid CAS Name: 8-(N-[oxo-(3-phenylmethoxyphenyl)methyl]-4-phenylmethoxyanilino)octanoic acid IUPAC Name: 8-(4-phenylmethoxy-N-(3-phenylmethoxybenzoyl)anilino)octanoic acid Traditional Name: 8-(4-benzoxy-N-(3-benzoxybenzoyl)anilino)caprylic acid Formula: C35H37NO5 MolecularWeight: 551.67198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCCCCCC(=O)O)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCCCCCC(=O)O)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H37NO5/c37-34(38)19-10-2-1-3-11-24-36(31-20-22-32(23-21-31)40-26-28-13-6-4-7-14-28)35(39)30-17-12-18-33(25-30)41-27-29-15-8-5-9-16-29/h4-9,12-18,20-23,25H,1-3,10-11,19,24,26-27H2,(H,37,38)