methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-4-methyl-5-oxo-5-(4-pyridylmethylamino)pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-(pyridin-4-ylmethylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-5-keto-4-methyl-5-(4-pyridylmethylamino)pent-2-enyl]benzoic acid methyl ester Formula: C28H28IN3O5 MolecularWeight: 613.44349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)I)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C[C@H](/C=C(/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)\I)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C28H28IN3O5/c1-19(26(33)31-17-20-12-14-30-15-13-20)16-24(29)25(22-8-10-23(11-9-22)27(34)36-2)32-28(35)37-18-21-6-4-3-5-7-21/h3-16,19,25H,17-18H2,1-2H3,(H,31,33)(H,32,35)/b24-16-/t19-,25?/m1/s1