O1-tert-butyl O7-(phenylmethyl) (E)-6-(2-cyclopentyl-2-methyl-propyl)hept-2-enedioate

Systemtic Name: O1-tert-butyl O7-(phenylmethyl) (E)-6-(2-cyclopentyl-2-methyl-propyl)hept-2-enedioate Openeye Name: O7-benzyl O1-tert-butyl (E)-6-(2-cyclopentyl-2-methyl-propyl)hept-2-enedioate CAS Name: (E)-6-(2-cyclopentyl-2-methylpropyl)-2-heptenedioic acid O1-tert-butyl ester O7-(phenylmethyl) ester IUPAC Name: 7-O-benzyl 1-O-tert-butyl (E)-6-(2-cyclopentyl-2-methylpropyl)hept-2-enedioate Traditional Name: (E)-6-(2-cyclopentyl-2-methyl-propyl)hept-2-enedioic acid O7-benzyl ester O1-tert-butyl ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCC(CC(C)(C)C1CCCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCC(CC(C)(C)C1CCCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H40O4/c1-26(2,3)31-24(28)18-12-9-15-22(19-27(4,5)23-16-10-11-17-23)25(29)30-20-21-13-7-6-8-14-21/h6-8,12-14,18,22-23H,9-11,15-17,19-20H2,1-5H3/b18-12+