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

Systemtic Name: tert-butyl 4-[4-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)butan-2-yl]benzoate Openeye Name: tert-butyl 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)-1-methyl-propyl]benzoate CAS Name: 4-[4-(2-cyano-3-methoxy-1-cyclopent-2-enyl)butan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-cyano-3-methoxycyclopent-2-en-1-yl)butan-2-yl]benzoate Traditional Name: 4-[3-(2-cyano-3-methoxy-cyclopent-2-en-1-yl)-1-methyl-propyl]benzoic acid tert-butyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1CCC(=C1C#N)OC)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CCC1CCC(=C1C#N)OC)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO3/c1-15(6-7-17-12-13-20(25-5)19(17)14-23)16-8-10-18(11-9-16)21(24)26-22(2,3)4/h8-11,15,17H,6-7,12-13H2,1-5H3