tert-butyl 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)propyl]benzoate

Systemtic Name: tert-butyl 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)propyl]benzoate Openeye Name: tert-butyl 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)propyl]benzoate CAS Name: 4-[3-(2-cyano-3-methoxy-1-cyclopent-2-enyl)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-cyano-3-methoxycyclopent-2-en-1-yl)propyl]benzoate Traditional Name: 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)propyl]benzoic acid tert-butyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC(=C2C#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC(=C2C#N)OC

InChI

InChI=1S/C21H27NO3/c1-21(2,3)25-20(23)17-10-8-15(9-11-17)6-5-7-16-12-13-19(24-4)18(16)14-22/h8-11,16H,5-7,12-13H2,1-4H3