(1-ethoxy-1-oxidanylidene-but-3-en-2-yl) 4-(hexadecylamino)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-but-3-en-2-yl) 4-(hexadecylamino)benzoate Openeye Name: 1-ethoxycarbonylallyl 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (1-ethoxy-1-oxobut-3-en-2-yl) ester IUPAC Name: (1-ethoxy-1-oxobut-3-en-2-yl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid 1-carbethoxyallyl ester Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-26-22-20-25(21-23-26)28(31)34-27(5-2)29(32)33-6-3/h5,20-23,27,30H,2,4,6-19,24H2,1,3H3