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

Systemtic Name: methyl 4-[(Z,4R)-5-(cyclopropylmethylamino)-2-iodanyl-4-methyl-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-5-(cyclopropylmethylamino)-2-iodo-4-methyl-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-5-(cyclopropylmethylamino)-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-5-(cyclopropylmethylamino)-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-1-(benzyloxycarbonylamino)-5-(cyclopropylmethylamino)-2-iodo-5-keto-4-methyl-pent-2-enyl]benzoic acid methyl ester Formula: C26H29IN2O5 MolecularWeight: 576.42333

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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)NCC3CC3

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)NCC3CC3

InChI

InChI=1S/C26H29IN2O5/c1-17(24(30)28-15-18-8-9-18)14-22(27)23(20-10-12-21(13-11-20)25(31)33-2)29-26(32)34-16-19-6-4-3-5-7-19/h3-7,10-14,17-18,23H,8-9,15-16H2,1-2H3,(H,28,30)(H,29,32)/b22-14-/t17-,23?/m1/s1