(2-phenyl-1,3-dioxan-5-yl) 4-(hexadecylamino)benzoate

Systemtic Name: (2-phenyl-1,3-dioxan-5-yl) 4-(hexadecylamino)benzoate Openeye Name: (2-phenyl-1,3-dioxan-5-yl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (2-phenyl-1,3-dioxan-5-yl) ester IUPAC Name: (2-phenyl-1,3-dioxan-5-yl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (2-phenyl-1,3-dioxan-5-yl) ester Formula: C33H49NO4 MolecularWeight: 523.74646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2COC(OC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2COC(OC2)C3=CC=CC=C3

InChI

InChI=1S/C33H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-34-30-23-21-28(22-24-30)32(35)38-31-26-36-33(37-27-31)29-19-16-15-17-20-29/h15-17,19-24,31,33-34H,2-14,18,25-27H2,1H3