[2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-keto-2-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl] ester Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)N

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)N

InChI

InChI=1S/C20H19IN4O3/c1-25-10-9-23-19(25)18(13-5-3-2-4-6-13)24-17(26)12-28-20(27)15-11-14(21)7-8-16(15)22/h2-11,18H,12,22H2,1H3,(H,24,26)