methyl N-[5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-3-oxidanyl-pentyl]carbamate

Systemtic Name: methyl N-[5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-3-oxidanyl-pentyl]carbamate Openeye Name: methyl N-[5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-3-hydroxy-pentyl]carbamate CAS Name: N-[3-hydroxy-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]pentyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-hydroxy-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]pentyl]carbamate Traditional Name: N-[5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-3-hydroxy-pentyl]carbamic acid methyl ester Formula: C22H37NO4 MolecularWeight: 379.53348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)CCC(CCNC(=O)OC)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)CCC(CCNC(=O)OC)O)O

InChI

InChI=1S/C22H37NO4/c1-5-6-7-8-14-22(2,3)18-11-9-17(20(25)16-18)10-12-19(24)13-15-23-21(26)27-4/h9,11,16,19,24-25H,5-8,10,12-15H2,1-4H3,(H,23,26)