O1-ethyl O6-methyl (Z,5S)-2-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enedioate

Systemtic Name: O1-ethyl O6-methyl (Z,5S)-2-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enedioate Openeye Name: O1-ethyl O6-methyl (Z,5S)-5-(tert-butoxycarbonylamino)-2-(3-cyanophenyl)hex-2-enedioate CAS Name: (Z,5S)-2-(3-cyanophenyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexenedioic acid O1-ethyl ester O6-methyl ester IUPAC Name: 1-O-ethyl 6-O-methyl (Z,5S)-2-(3-cyanophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enedioate Traditional Name: (Z,5S)-5-(tert-butoxycarbonylamino)-2-(3-cyanophenyl)hex-2-enedioic acid O1-ethyl ester O6-methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C(=O)OC)NC(=O)OC(C)(C)C)C1=CC=CC(=C1)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)/C1=CC=CC(=C1)C#N

InChI

InChI=1S/C21H26N2O6/c1-6-28-18(24)16(15-9-7-8-14(12-15)13-22)10-11-17(19(25)27-5)23-20(26)29-21(2,3)4/h7-10,12,17H,6,11H2,1-5H3,(H,23,26)/b16-10-/t17-/m0/s1