2-(aminocarbonylamino)-3-[2-(4-iodophenyl)ethyl]-6-methyl-benzoic acid

Systemtic Name: 2-(aminocarbonylamino)-3-[2-(4-iodophenyl)ethyl]-6-methyl-benzoic acid Openeye Name: 3-[2-(4-iodophenyl)ethyl]-6-methyl-2-ureido-benzoic acid CAS Name: 2-(carbamoylamino)-3-[2-(4-iodophenyl)ethyl]-6-methylbenzoic acid IUPAC Name: 2-(carbamoylamino)-3-[2-(4-iodophenyl)ethyl]-6-methylbenzoic acid Traditional Name: 3-[2-(4-iodophenyl)ethyl]-6-methyl-2-ureido-benzoic acid Formula: C17H17IN2O3 MolecularWeight: 424.23295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CCC2=CC=C(C=C2)I)NC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)CCC2=CC=C(C=C2)I)NC(=O)N)C(=O)O

InChI

InChI=1S/C17H17IN2O3/c1-10-2-6-12(7-3-11-4-8-13(18)9-5-11)15(20-17(19)23)14(10)16(21)22/h2,4-6,8-9H,3,7H2,1H3,(H,21,22)(H3,19,20,23)