(3-ethoxy-2-methyl-3-oxidanylidene-propyl) 4-(hexadecylamino)benzoate

Systemtic Name: (3-ethoxy-2-methyl-3-oxidanylidene-propyl) 4-(hexadecylamino)benzoate Openeye Name: (3-ethoxy-2-methyl-3-oxo-propyl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (3-ethoxy-2-methyl-3-oxopropyl) ester IUPAC Name: (3-ethoxy-2-methyl-3-oxopropyl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (3-ethoxy-3-keto-2-methyl-propyl) ester Formula: C29H49NO4 MolecularWeight: 475.70366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(C)C(=O)OCC

InChI

InChI=1S/C29H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-27-21-19-26(20-22-27)29(32)34-24-25(3)28(31)33-5-2/h19-22,25,30H,4-18,23-24H2,1-3H3