[4-(octadecoxymethyl)-1,3-dioxolan-2-yl]methyl 2-(aminomethyl)pyridine-3-carboxylate

Systemtic Name: [4-(octadecoxymethyl)-1,3-dioxolan-2-yl]methyl 2-(aminomethyl)pyridine-3-carboxylate Openeye Name: [4-(octadecoxymethyl)-1,3-dioxolan-2-yl]methyl 2-(aminomethyl)pyridine-3-carboxylate CAS Name: 2-(aminomethyl)-3-pyridinecarboxylic acid [4-(octadecoxymethyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [4-(octadecoxymethyl)-1,3-dioxolan-2-yl]methyl 2-(aminomethyl)pyridine-3-carboxylate Traditional Name: 2-(aminomethyl)nicotinic acid [4-(stearyloxymethyl)-1,3-dioxolan-2-yl]methyl ester Formula: C30H52N2O5 MolecularWeight: 520.74428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1COC(O1)COC(=O)C2=C(N=CC=C2)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1COC(O1)COC(=O)C2=C(N=CC=C2)CN

InChI

InChI=1S/C30H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-23-26-24-35-29(37-26)25-36-30(33)27-19-18-20-32-28(27)22-31/h18-20,26,29H,2-17,21-25,31H2,1H3