tert-butyl 1-[1-(benzotriazol-1-yloxy)-4-methyl-1-oxidanylidene-pentan-2-yl]cyclopent-3-ene-1-carboxylate

Systemtic Name: tert-butyl 1-[1-(benzotriazol-1-yloxy)-4-methyl-1-oxidanylidene-pentan-2-yl]cyclopent-3-ene-1-carboxylate Openeye Name: tert-butyl 1-[1-(benzotriazol-1-yloxycarbonyl)-3-methyl-butyl]cyclopent-3-ene-1-carboxylate CAS Name: 1-[1-(1-benzotriazolyloxy)-4-methyl-1-oxopentan-2-yl]-1-cyclopent-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[1-(benzotriazol-1-yloxy)-4-methyl-1-oxopentan-2-yl]cyclopent-3-ene-1-carboxylate Traditional Name: 1-[1-(benzotriazol-1-yloxycarbonyl)-3-methyl-butyl]cyclopent-3-ene-1-carboxylic acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)ON1C2=CC=CC=C2N=N1)C3(CC=CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)ON1C2=CC=CC=C2N=N1)C3(CC=CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-15(2)14-16(22(12-8-9-13-22)20(27)28-21(3,4)5)19(26)29-25-18-11-7-6-10-17(18)23-24-25/h6-11,15-16H,12-14H2,1-5H3