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

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

Systemtic Name:pyridin-3-ylmethyl 3-[4-(hexadecylamino)phenyl]propanoate
Openeye Name:3-pyridylmethyl 3-[4-(hexadecylamino)phenyl]propanoate
CAS Name:3-[4-(hexadecylamino)phenyl]propanoic acid 3-pyridinylmethyl ester
IUPAC Name:pyridin-3-ylmethyl 3-[4-(hexadecylamino)phenyl]propanoate
Traditional Name:3-[4-(cetylamino)phenyl]propionic acid 3-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=CN=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC2=CN=CC=C2


InChI

InChI=1S/C31H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-33-30-21-18-28(19-22-30)20-23-31(34)35-27-29-17-16-24-32-26-29/h16-19,21-22,24,26,33H,2-15,20,23,25,27H2,1H3


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