O1-tert-butyl O7-ethyl 2-[(4-cyanophenyl)methyl]heptanedioate

Systemtic Name: O1-tert-butyl O7-ethyl 2-[(4-cyanophenyl)methyl]heptanedioate Openeye Name: O1-tert-butyl O7-ethyl 2-[(4-cyanophenyl)methyl]heptanedioate CAS Name: 2-[(4-cyanophenyl)methyl]heptanedioic acid O1-tert-butyl ester O7-ethyl ester IUPAC Name: 1-O-tert-butyl 7-O-ethyl 2-[(4-cyanophenyl)methyl]heptanedioate Traditional Name: 2-(4-cyanobenzyl)pimelic acid O1-tert-butyl ester O7-ethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(CC1=CC=C(C=C1)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCCCC(CC1=CC=C(C=C1)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO4/c1-5-25-19(23)9-7-6-8-18(20(24)26-21(2,3)4)14-16-10-12-17(15-22)13-11-16/h10-13,18H,5-9,14H2,1-4H3