5-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]-2-heptoxy-benzenecarbonitrile

Systemtic Name: 5-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]-2-heptoxy-benzenecarbonitrile Openeye Name: 5-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]-2-heptoxy-benzonitrile CAS Name: 5-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]-2-heptoxybenzonitrile IUPAC Name: 5-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]-2-heptoxybenzonitrile Traditional Name: 5-(3-amino-4-hydroxy-3-methylol-butyl)-2-heptoxy-benzonitrile Formula: C19H30N2O3 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C#N

InChI

InChI=1S/C19H30N2O3/c1-2-3-4-5-6-11-24-18-8-7-16(12-17(18)13-20)9-10-19(21,14-22)15-23/h7-8,12,22-23H,2-6,9-11,14-15,21H2,1H3