pentamethyl 6-cyano-7-phenyl-octane-1,2,2,5,6-pentacarboxylate

Systemtic Name: pentamethyl 6-cyano-7-phenyl-octane-1,2,2,5,6-pentacarboxylate Openeye Name: pentamethyl 6-cyano-7-phenyl-octane-1,2,2,5,6-pentacarboxylate CAS Name: 6-cyano-7-phenyloctane-1,2,2,5,6-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 6-cyano-7-phenyloctane-1,2,2,5,6-pentacarboxylate Traditional Name: 6-cyano-7-phenyl-octane-1,2,2,5,6-pentacarboxylic acid pentamethyl ester Formula: C25H31NO10 MolecularWeight: 505.51434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO10/c1-16(17-10-8-7-9-11-17)25(15-26,23(31)36-6)18(20(28)33-3)12-13-24(21(29)34-4,22(30)35-5)14-19(27)32-2/h7-11,16,18H,12-14H2,1-6H3