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

Systemtic Name: 2-chloranyl-5-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C28H30ClNO4/c1-20-18-24(34-17-7-3-6-10-21-8-4-2-5-9-21)14-11-22(20)12-16-27(31)30-23-13-15-26(29)25(19-23)28(32)33/h2,4-5,8-9,11,13-15,18-19H,3,6-7,10,12,16-17H2,1H3,(H,30,31)(H,32,33)