2-methyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-methyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-methyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-methyl-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-methyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-methyl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-21-11-15-24(20-26(21)28(31)32)29-27(30)18-14-23-12-16-25(17-13-23)33-19-7-3-6-10-22-8-4-2-5-9-22/h2,4-5,8-9,11-13,15-17,20H,3,6-7,10,14,18-19H2,1H3,(H,29,30)(H,31,32)