pyridin-2-ylmethyl 3-[4-(hexadecylamino)phenyl]propanoate

Systemtic Name: pyridin-2-ylmethyl 3-[4-(hexadecylamino)phenyl]propanoate Openeye Name: 2-pyridylmethyl 3-[4-(hexadecylamino)phenyl]propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]propanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-[4-(hexadecylamino)phenyl]propanoate Traditional Name: 3-[4-(cetylamino)phenyl]propionic acid 2-pyridylmethyl ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C31H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-25-32-29-22-19-28(20-23-29)21-24-31(34)35-27-30-18-15-17-26-33-30/h15,17-20,22-23,26,32H,2-14,16,21,24-25,27H2,1H3