methyl (E)-7-iodanyl-8-[2-methylprop-2-enyl-(phenylmethyl)amino]-8-oxidanylidene-oct-2-enoate

Systemtic Name: methyl (E)-7-iodanyl-8-[2-methylprop-2-enyl-(phenylmethyl)amino]-8-oxidanylidene-oct-2-enoate Openeye Name: methyl (E)-8-[benzyl(2-methylallyl)amino]-7-iodo-8-oxo-oct-2-enoate CAS Name: (E)-7-iodo-8-[2-methylprop-2-enyl-(phenylmethyl)amino]-8-oxo-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[benzyl(2-methylprop-2-enyl)amino]-7-iodo-8-oxooct-2-enoate Traditional Name: (E)-8-[benzyl(2-methylallyl)amino]-7-iodo-8-keto-oct-2-enoic acid methyl ester Formula: C20H26INO3 MolecularWeight: 455.32981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN(CC1=CC=CC=C1)C(=O)C(CCCC=CC(=O)OC)I

Isomeric SMILES

CC(=C)CN(CC1=CC=CC=C1)C(=O)C(CCC/C=C/C(=O)OC)I

InChI

InChI=1S/C20H26INO3/c1-16(2)14-22(15-17-10-6-4-7-11-17)20(24)18(21)12-8-5-9-13-19(23)25-3/h4,6-7,9-11,13,18H,1,5,8,12,14-15H2,2-3H3/b13-9+