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

Systemtic Name: methyl 3-[3-ethoxy-1-[[5-iodanyl-2-[(phenylmethyl)amino]phenyl]carbonylamino]-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 3-[1-[[2-(benzylamino)-5-iodo-benzoyl]amino]-3-ethoxy-3-oxo-propyl]benzoate CAS Name: 3-[3-ethoxy-1-[[[5-iodo-2-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-[[2-(benzylamino)-5-iodobenzoyl]amino]-3-ethoxy-3-oxopropyl]benzoate Traditional Name: 3-[1-[[2-(benzylamino)-5-iodo-benzoyl]amino]-3-ethoxy-3-keto-propyl]benzoic acid methyl ester Formula: C27H27IN2O5 MolecularWeight: 586.41815

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)I)NCC3=CC=CC=C3

InChI

InChI=1S/C27H27IN2O5/c1-3-35-25(31)16-24(19-10-7-11-20(14-19)27(33)34-2)30-26(32)22-15-21(28)12-13-23(22)29-17-18-8-5-4-6-9-18/h4-15,24,29H,3,16-17H2,1-2H3,(H,30,32)