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

Systemtic Name: methyl 3-[3-ethoxy-1-[[5-iodanyl-2-(propan-2-ylamino)phenyl]carbonylamino]-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 3-[3-ethoxy-1-[[5-iodo-2-(isopropylamino)benzoyl]amino]-3-oxo-propyl]benzoate CAS Name: 3-[3-ethoxy-1-[[[5-iodo-2-(propan-2-ylamino)phenyl]-oxomethyl]amino]-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-ethoxy-1-[[5-iodo-2-(propan-2-ylamino)benzoyl]amino]-3-oxopropyl]benzoate Traditional Name: 3-[3-ethoxy-1-[[5-iodo-2-(isopropylamino)benzoyl]amino]-3-keto-propyl]benzoic acid methyl ester Formula: C23H27IN2O5 MolecularWeight: 538.37535

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27IN2O5/c1-5-31-21(27)13-20(15-7-6-8-16(11-15)23(29)30-4)26-22(28)18-12-17(24)9-10-19(18)25-14(2)3/h6-12,14,20,25H,5,13H2,1-4H3,(H,26,28)