methyl N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hex-5-en-3-yl]carbamate

Systemtic Name: methyl N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hex-5-en-3-yl]carbamate Openeye Name: methyl N-[1-[2-(4-heptoxyphenyl)ethyl]-1-(hydroxymethyl)but-3-enyl]carbamate CAS Name: N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hex-5-en-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hex-5-en-3-yl]carbamate Traditional Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-1-methylol-but-3-enyl]carbamic acid methyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-4-6-7-8-9-17-27-20-12-10-19(11-13-20)14-16-22(18-24,15-5-2)23-21(25)26-3/h5,10-13,24H,2,4,6-9,14-18H2,1,3H3,(H,23,25)