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

Systemtic Name: methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-4-methyl-5-(2-naphthylamino)-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-2-iodo-4-methyl-5-(2-naphthalenylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-2-iodo-4-methyl-5-(naphthalen-2-ylamino)-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-1-(benzyloxycarbonylamino)-2-iodo-5-keto-4-methyl-5-(2-naphthylamino)pent-2-enyl]benzoic acid methyl ester Formula: C32H29IN2O5 MolecularWeight: 648.48753

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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)NC3=CC4=CC=CC=C4C=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)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H29IN2O5/c1-21(30(36)34-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33)29(24-12-14-25(15-13-24)31(37)39-2)35-32(38)40-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,34,36)(H,35,38)/b28-18-/t21-,29?/m1/s1