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

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

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


Isomeric SMILES

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


InChI

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


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