2-azanyl-4-(4-heptoxyphenyl)-2-(hydroxymethyl)butane-1,3-diol

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-2-(hydroxymethyl)butane-1,3-diol Openeye Name: 2-amino-4-(4-heptoxyphenyl)-2-(hydroxymethyl)butane-1,3-diol CAS Name: 2-amino-4-(4-heptoxyphenyl)-2-(hydroxymethyl)butane-1,3-diol IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-2-(hydroxymethyl)butane-1,3-diol Traditional Name: 2-amino-4-(4-heptoxyphenyl)-2-methylol-butane-1,3-diol Formula: C18H31NO4 MolecularWeight: 325.44304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CC(C(CO)(CO)N)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CC(C(CO)(CO)N)O

InChI

InChI=1S/C18H31NO4/c1-2-3-4-5-6-11-23-16-9-7-15(8-10-16)12-17(22)18(19,13-20)14-21/h7-10,17,20-22H,2-6,11-14,19H2,1H3