4-[3-[(4-iodophenyl)amino]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-iodophenyl)amino]propoxy]benzoic acid Openeye Name: 4-[3-(4-iodoanilino)propoxy]benzoic acid CAS Name: 4-[3-(4-iodoanilino)propoxy]benzoic acid IUPAC Name: 4-[3-(4-iodoanilino)propoxy]benzoic acid Traditional Name: 4-[3-(4-iodoanilino)propoxy]benzoic acid Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCNC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCNC2=CC=C(C=C2)I

InChI

InChI=1S/C16H16INO3/c17-13-4-6-14(7-5-13)18-10-1-11-21-15-8-2-12(3-9-15)16(19)20/h2-9,18H,1,10-11H2,(H,19,20)