2-[3-iodanyl-4-[[(E)-4-oxidanylidene-4-phenylmethoxy-but-2-en-2-yl]amino]phenyl]ethylcarbamoylboron

Systemtic Name: 2-[3-iodanyl-4-[[(E)-4-oxidanylidene-4-phenylmethoxy-but-2-en-2-yl]amino]phenyl]ethylcarbamoylboron Openeye Name: 2-[4-[[(E)-3-benzyloxy-1-methyl-3-oxo-prop-1-enyl]amino]-3-iodo-phenyl]ethylcarbamoylboron CAS Name: [[2-[3-iodo-4-[[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]amino]phenyl]ethylamino]-oxomethyl]boron IUPAC Name: 2-[3-iodo-4-[[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]amino]phenyl]ethylcarbamoylboron Traditional Name: 2-[4-[[(E)-3-benzoxy-3-keto-1-methyl-prop-1-enyl]amino]-3-iodo-phenyl]ethylcarbamoylboron Formula: C20H20BIN2O3 MolecularWeight: 474.09987

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCC1=CC(=C(C=C1)NC(=CC(=O)OCC2=CC=CC=C2)C)I

Isomeric SMILES

[B]C(=O)NCCC1=CC(=C(C=C1)N/C(=C/C(=O)OCC2=CC=CC=C2)/C)I

InChI

InChI=1S/C20H20BIN2O3/c1-14(11-19(25)27-13-16-5-3-2-4-6-16)24-18-8-7-15(12-17(18)22)9-10-23-20(21)26/h2-8,11-12,24H,9-10,13H2,1H3,(H,23,26)/b14-11+