1,3-dioxan-5-yl 3-[4-(hexadecylamino)-2-phenyl-phenyl]propanoate

Systemtic Name: 1,3-dioxan-5-yl 3-[4-(hexadecylamino)-2-phenyl-phenyl]propanoate Openeye Name: 1,3-dioxan-5-yl 3-[4-(hexadecylamino)-2-phenyl-phenyl]propanoate CAS Name: 3-[4-(hexadecylamino)-2-phenylphenyl]propanoic acid 1,3-dioxan-5-yl ester IUPAC Name: 1,3-dioxan-5-yl 3-[4-(hexadecylamino)-2-phenylphenyl]propanoate Traditional Name: 3-[4-(cetylamino)-2-phenyl-phenyl]propionic acid 1,3-dioxan-5-yl ester Formula: C35H53NO4 MolecularWeight: 551.79962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)CCC(=O)OC2COCOC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)CCC(=O)OC2COCOC2)C3=CC=CC=C3

InChI

InChI=1S/C35H53NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-36-32-23-21-31(34(26-32)30-19-16-15-17-20-30)22-24-35(37)40-33-27-38-29-39-28-33/h15-17,19-21,23,26,33,36H,2-14,18,22,24-25,27-29H2,1H3