ethyl 4-[(2-chloranyl-5-iodanyl-phenyl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-5-iodanyl-phenyl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-5-iodo-benzoyl)-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(2-chloro-5-iodophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-iodobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(2-chloro-5-iodo-benzoyl)-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C22H18ClIN2O3 MolecularWeight: 520.74739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C22H18ClIN2O3/c1-2-29-22(28)16-5-8-18(9-6-16)26(14-15-4-3-11-25-13-15)21(27)19-12-17(24)7-10-20(19)23/h3-13H,2,14H2,1H3