tert-butyl N-[(E)-8-(2-methylpyrimidin-5-yl)-6-oxidanyl-oct-7-enyl]carbamate

Systemtic Name: tert-butyl N-[(E)-8-(2-methylpyrimidin-5-yl)-6-oxidanyl-oct-7-enyl]carbamate Openeye Name: tert-butyl N-[(E)-6-hydroxy-8-(2-methylpyrimidin-5-yl)oct-7-enyl]carbamate CAS Name: N-[(E)-6-hydroxy-8-(2-methyl-5-pyrimidinyl)oct-7-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-6-hydroxy-8-(2-methylpyrimidin-5-yl)oct-7-enyl]carbamate Traditional Name: N-[(E)-6-hydroxy-8-(2-methylpyrimidin-5-yl)oct-7-enyl]carbamic acid tert-butyl ester Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C=CC(CCCCCNC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=NC=C(C=N1)/C=C/C(CCCCCNC(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H29N3O3/c1-14-20-12-15(13-21-14)9-10-16(22)8-6-5-7-11-19-17(23)24-18(2,3)4/h9-10,12-13,16,22H,5-8,11H2,1-4H3,(H,19,23)/b10-9+