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

Systemtic Name: 2-chloranyl-5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C28H30ClNO5/c1-34-26-18-21(12-16-27(31)30-22-13-14-24(29)23(19-22)28(32)33)11-15-25(26)35-17-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11,13-15,18-19H,3,6-7,10,12,16-17H2,1H3,(H,30,31)(H,32,33)