methyl 3-[3-ethoxy-1-[[5-iodanyl-2-(methylamino)phenyl]carbonylamino]-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 3-[3-ethoxy-1-[[5-iodanyl-2-(methylamino)phenyl]carbonylamino]-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 3-[3-ethoxy-1-[[5-iodo-2-(methylamino)benzoyl]amino]-3-oxo-propyl]benzoate CAS Name: 3-[3-ethoxy-1-[[[5-iodo-2-(methylamino)phenyl]-oxomethyl]amino]-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-ethoxy-1-[[5-iodo-2-(methylamino)benzoyl]amino]-3-oxopropyl]benzoate Traditional Name: 3-[3-ethoxy-1-[[5-iodo-2-(methylamino)benzoyl]amino]-3-keto-propyl]benzoic acid methyl ester Formula: C21H23IN2O5 MolecularWeight: 510.32219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)I)NC

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)I)NC

InChI

InChI=1S/C21H23IN2O5/c1-4-29-19(25)12-18(13-6-5-7-14(10-13)21(27)28-3)24-20(26)16-11-15(22)8-9-17(16)23-2/h5-11,18,23H,4,12H2,1-3H3,(H,24,26)