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

Systemtic Name: 8-[(4-chlorophenyl)carbonyl-(4-phenylmethoxyphenyl)amino]octanoic acid Openeye Name: 8-(4-benzyloxy-N-(4-chlorobenzoyl)anilino)octanoic acid CAS Name: 8-(N-[(4-chlorophenyl)-oxomethyl]-4-phenylmethoxyanilino)octanoic acid IUPAC Name: 8-(N-(4-chlorobenzoyl)-4-phenylmethoxyanilino)octanoic acid Traditional Name: 8-(4-benzoxy-N-(4-chlorobenzoyl)anilino)caprylic acid Formula: C28H30ClNO4 MolecularWeight: 479.9951

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClNO4/c29-24-14-12-23(13-15-24)28(33)30(20-8-3-1-2-7-11-27(31)32)25-16-18-26(19-17-25)34-21-22-9-5-4-6-10-22/h4-6,9-10,12-19H,1-3,7-8,11,20-21H2,(H,31,32)