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

Systemtic Name: methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-(methylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-4-methyl-5-(methylamino)-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-2-iodo-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-2-iodo-4-methyl-5-(methylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-5-keto-4-methyl-5-(methylamino)pent-2-enyl]benzoic acid methyl ester Formula: C23H25IN2O5 MolecularWeight: 536.35947

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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)NC

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)NC

InChI

InChI=1S/C23H25IN2O5/c1-15(21(27)25-2)13-19(24)20(17-9-11-18(12-10-17)22(28)30-3)26-23(29)31-14-16-7-5-4-6-8-16/h4-13,15,20H,14H2,1-3H3,(H,25,27)(H,26,29)/b19-13-/t15-,20?/m1/s1