pyridin-2-ylmethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate

Systemtic Name: pyridin-2-ylmethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate Openeye Name: 2-pyridylmethyl 3-[4-(1-methylpentadecylamino)phenyl]prop-2-ynoate CAS Name: 3-[4-(hexadecan-2-ylamino)phenyl]-2-propynoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate Traditional Name: 3-[4-(1-methylpentadecylamino)phenyl]propiolic acid 2-pyridylmethyl ester Formula: C31H44N2O2 MolecularWeight: 476.69326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C#CC(=O)OCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C#CC(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C31H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27(2)33-29-22-19-28(20-23-29)21-24-31(34)35-26-30-18-15-16-25-32-30/h15-16,18-20,22-23,25,27,33H,3-14,17,26H2,1-2H3