methyl N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)-5-oxidanyl-pentan-3-yl]carbamate

Systemtic Name: methyl N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)-5-oxidanyl-pentan-3-yl]carbamate Openeye Name: methyl N-[1-[2-(4-heptoxyphenyl)ethyl]-3-hydroxy-1-(hydroxymethyl)propyl]carbamate CAS Name: N-[1-(4-heptoxyphenyl)-5-hydroxy-3-(hydroxymethyl)pentan-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(4-heptoxyphenyl)-5-hydroxy-3-(hydroxymethyl)pentan-3-yl]carbamate Traditional Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-3-hydroxy-1-methylol-propyl]carbamic acid methyl ester Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CCO)(CO)NC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CCO)(CO)NC(=O)OC

InChI

InChI=1S/C21H35NO5/c1-3-4-5-6-7-16-27-19-10-8-18(9-11-19)12-13-21(17-24,14-15-23)22-20(25)26-2/h8-11,23-24H,3-7,12-17H2,1-2H3,(H,22,25)