tert-butyl N-[7-[(3E)-4,8-dimethyl-2-oxidanyl-nona-3,7-dienyl]benzotriazol-1-yl]carbamate

Systemtic Name: tert-butyl N-[7-[(3E)-4,8-dimethyl-2-oxidanyl-nona-3,7-dienyl]benzotriazol-1-yl]carbamate Openeye Name: tert-butyl N-[7-[(3E)-2-hydroxy-4,8-dimethyl-nona-3,7-dienyl]benzotriazol-1-yl]carbamate CAS Name: N-[7-[(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienyl]-1-benzotriazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienyl]benzotriazol-1-yl]carbamate Traditional Name: N-[7-[(3E)-2-hydroxy-4,8-dimethyl-nona-3,7-dienyl]benzotriazol-1-yl]carbamic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(CC1=C2C(=CC=C1)N=NN2NC(=O)OC(C)(C)C)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/C(CC1=C2C(=CC=C1)N=NN2NC(=O)OC(C)(C)C)O)/C)C

InChI

InChI=1S/C22H32N4O3/c1-15(2)9-7-10-16(3)13-18(27)14-17-11-8-12-19-20(17)26(25-23-19)24-21(28)29-22(4,5)6/h8-9,11-13,18,27H,7,10,14H2,1-6H3,(H,24,28)/b16-13+