3-[1-(4-iodophenyl)ethylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[1-(4-iodophenyl)ethylamino]-4-methyl-benzoic acid Openeye Name: 3-[1-(4-iodophenyl)ethylamino]-4-methyl-benzoic acid CAS Name: 3-[1-(4-iodophenyl)ethylamino]-4-methylbenzoic acid IUPAC Name: 3-[1-(4-iodophenyl)ethylamino]-4-methylbenzoic acid Traditional Name: 3-[1-(4-iodophenyl)ethylamino]-4-methyl-benzoic acid Formula: C16H16INO2 MolecularWeight: 381.20821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H16INO2/c1-10-3-4-13(16(19)20)9-15(10)18-11(2)12-5-7-14(17)8-6-12/h3-9,11,18H,1-2H3,(H,19,20)