dimethyl (E,2Z)-2-[(2S)-2-(methoxycarbonylamino)-3-phenyl-propylidene]tridec-4-enedioate

Systemtic Name: dimethyl (E,2Z)-2-[(2S)-2-(methoxycarbonylamino)-3-phenyl-propylidene]tridec-4-enedioate Openeye Name: dimethyl (E,2Z)-2-[(2S)-2-(methoxycarbonylamino)-3-phenyl-propylidene]tridec-4-enedioate CAS Name: (E,2Z)-2-[(2S)-2-(methoxycarbonylamino)-3-phenylpropylidene]-4-tridecenedioic acid dimethyl ester IUPAC Name: dimethyl (E,2Z)-2-[(2S)-2-(methoxycarbonylamino)-3-phenylpropylidene]tridec-4-enedioate Traditional Name: (E,2Z)-2-[(2S)-2-(carbomethoxyamino)-3-phenyl-propylidene]tridec-4-enedioic acid dimethyl ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO6/c1-31-24(28)18-14-9-7-5-4-6-8-13-17-22(25(29)32-2)20-23(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