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

Systemtic Name: methyl 4-[(Z,4R)-2-iodanyl-5-(2-methoxyethylamino)-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-5-(2-methoxyethylamino)-4-methyl-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-2-iodo-5-(2-methoxyethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-2-iodo-5-(2-methoxyethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-5-keto-5-(2-methoxyethylamino)-4-methyl-pent-2-enyl]benzoic acid methyl ester Formula: C25H29IN2O6 MolecularWeight: 580.41203

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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)NCCOC

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)NCCOC

InChI

InChI=1S/C25H29IN2O6/c1-17(23(29)27-13-14-32-2)15-21(26)22(19-9-11-20(12-10-19)24(30)33-3)28-25(31)34-16-18-7-5-4-6-8-18/h4-12,15,17,22H,13-14,16H2,1-3H3,(H,27,29)(H,28,31)/b21-15-/t17-,22?/m1/s1