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

Systemtic Name: 2-chloranyl-5-[3-[4-(5-phenylpentoxy)phenyl]propylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[4-(5-phenylpentoxy)phenyl]propylamino]benzoic acid CAS Name: 2-chloro-5-[3-[4-(5-phenylpentoxy)phenyl]propylamino]benzoic acid IUPAC Name: 2-chloro-5-[3-[4-(5-phenylpentoxy)phenyl]propylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[4-(5-phenylpentoxy)phenyl]propylamino]benzoic acid Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCCNC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCCNC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C27H30ClNO3/c28-26-17-14-23(20-25(26)27(30)31)29-18-7-11-22-12-15-24(16-13-22)32-19-6-2-5-10-21-8-3-1-4-9-21/h1,3-4,8-9,12-17,20,29H,2,5-7,10-11,18-19H2,(H,30,31)