O1-ethyl O13-methyl (E,2Z)-2-[2-(methoxycarbonylamino)-2-phenyl-ethylidene]tridec-4-enedioate

Systemtic Name: O1-ethyl O13-methyl (E,2Z)-2-[2-(methoxycarbonylamino)-2-phenyl-ethylidene]tridec-4-enedioate Openeye Name: O1-ethyl O13-methyl (E,2Z)-2-[2-(methoxycarbonylamino)-2-phenyl-ethylidene]tridec-4-enedioate CAS Name: (E,2Z)-2-[2-(methoxycarbonylamino)-2-phenylethylidene]-4-tridecenedioic acid O1-ethyl ester O13-methyl ester IUPAC Name: 1-O-ethyl 13-O-methyl (E,2Z)-2-[2-(methoxycarbonylamino)-2-phenylethylidene]tridec-4-enedioate Traditional Name: (E,2Z)-2-[2-(carbomethoxyamino)-2-phenyl-ethylidene]tridec-4-enedioic acid O1-ethyl ester O13-methyl ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C1=CC=CC=C1)NC(=O)OC)CC=CCCCCCCCC(=O)OC

Isomeric SMILES

CCOC(=O)/C(=C\C(C1=CC=CC=C1)NC(=O)OC)/C/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C26H37NO6/c1-4-33-25(29)22(18-12-9-7-5-6-8-10-15-19-24(28)31-2)20-23(27-26(30)32-3)21-16-13-11-14-17-21/h9,11-14,16-17,20,23H,4-8,10,15,18-19H2,1-3H3,(H,27,30)/b12-9+,22-20-