(4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate

Systemtic Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Openeye Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate CAS Name: 2-(aminomethyl)-3-pyridinecarboxylic acid (4-heptadecyl-1,3-dioxolan-2-yl)methyl ester IUPAC Name: (4-heptadecyl-1,3-dioxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Traditional Name: 2-(aminomethyl)nicotinic acid (4-heptadecyl-1,3-dioxolan-2-yl)methyl ester Formula: C28H48N2O4 MolecularWeight: 476.69172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1COC(O1)COC(=O)C2=C(N=CC=C2)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1COC(O1)COC(=O)C2=C(N=CC=C2)CN

InChI

InChI=1S/C28H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-22-32-27(34-24)23-33-28(31)25-19-17-20-30-26(25)21-29/h17,19-20,24,27H,2-16,18,21-23,29H2,1H3