O1,O1-ditert-butyl O6-methyl (E)-3-cyano-2-(phenylmethyl)hex-3-ene-1,1,6-tricarboxylate

Systemtic Name: O1,O1-ditert-butyl O6-methyl (E)-3-cyano-2-(phenylmethyl)hex-3-ene-1,1,6-tricarboxylate Openeye Name: O1,O1-ditert-butyl O6-methyl (E)-2-benzyl-3-cyano-hex-3-ene-1,1,6-tricarboxylate CAS Name: (E)-3-cyano-2-(phenylmethyl)-3-hexene-1,1,6-tricarboxylic acid O1,O1-ditert-butyl ester O6-methyl ester IUPAC Name: 1-O,1-O-ditert-butyl 6-O-methyl (E)-2-benzyl-3-cyanohex-3-ene-1,1,6-tricarboxylate Traditional Name: (E)-2-benzyl-3-cyano-hex-3-ene-1,1,6-tricarboxylic acid O1,O1-ditert-butyl ester O6-methyl ester Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(CC1=CC=CC=C1)C(=CCCC(=O)OC)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(CC1=CC=CC=C1)/C(=C\CCC(=O)OC)/C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H35NO6/c1-25(2,3)32-23(29)22(24(30)33-26(4,5)6)20(16-18-12-9-8-10-13-18)19(17-27)14-11-15-21(28)31-7/h8-10,12-14,20,22H,11,15-16H2,1-7H3/b19-14-