dimethyl (2Z,5E)-3-[(1S)-1-(methoxycarbonylamino)-2-phenyl-ethyl]tetradeca-2,5-dienedioate

Systemtic Name: dimethyl (2Z,5E)-3-[(1S)-1-(methoxycarbonylamino)-2-phenyl-ethyl]tetradeca-2,5-dienedioate Openeye Name: dimethyl (2Z,5E)-3-[(1S)-1-(methoxycarbonylamino)-2-phenyl-ethyl]tetradeca-2,5-dienedioate CAS Name: (2Z,5E)-3-[(1S)-1-(methoxycarbonylamino)-2-phenylethyl]tetradeca-2,5-dienedioic acid dimethyl ester IUPAC Name: dimethyl (2Z,5E)-3-[(1S)-1-(methoxycarbonylamino)-2-phenylethyl]tetradeca-2,5-dienedioate Traditional Name: (2Z,5E)-3-[(1S)-1-(carbomethoxyamino)-2-phenyl-ethyl]tetradeca-2,5-dienedioic acid dimethyl ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC=CCC(=CC(=O)OC)C(CC1=CC=CC=C1)NC(=O)OC

Isomeric SMILES

COC(=O)CCCCCCC/C=C/C/C(=C/C(=O)OC)/[C@H](CC1=CC=CC=C1)NC(=O)OC

InChI

InChI=1S/C26H37NO6/c1-31-24(28)18-14-9-7-5-4-6-8-13-17-22(20-25(29)32-2)23(27-26(30)33-3)19-21-15-11-10-12-16-21/h8,10-13,15-16,20,23H,4-7,9,14,17-19H2,1-3H3,(H,27,30)/b13-8+,22-20-/t23-/m0/s1