6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyridin-2-ylhex-5-ynyl)phenyl]hexanal

Systemtic Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyridin-2-ylhex-5-ynyl)phenyl]hexanal Openeye Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-[6-(2-pyridyl)hex-5-ynyl]phenyl]hexanal CAS Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-[6-(2-pyridinyl)hex-5-ynyl]phenyl]hexanal IUPAC Name: 6-[2-(aminomethyl)-3-(hydroxymethyl)-6-(6-pyridin-2-ylhex-5-ynyl)phenyl]hexanal Traditional Name: 6-[2-(aminomethyl)-3-methylol-6-[6-(2-pyridyl)hex-5-ynyl]phenyl]hexanal Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CCCCCC2=C(C(=C(C=C2)CO)CN)CCCCCC=O

Isomeric SMILES

C1=CC=NC(=C1)C#CCCCCC2=C(C(=C(C=C2)CO)CN)CCCCCC=O

InChI

InChI=1S/C25H32N2O2/c26-19-25-22(20-29)16-15-21(24(25)14-7-3-4-10-18-28)11-5-1-2-6-12-23-13-8-9-17-27-23/h8-9,13,15-18,29H,1-5,7,10-11,14,19-20,26H2