2-cyanopropan-2-yl 4-(hexadecylamino)benzoate

Systemtic Name: 2-cyanopropan-2-yl 4-(hexadecylamino)benzoate Openeye Name: (1-cyano-1-methyl-ethyl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (1-cyano-1-methyl-ethyl) ester Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)(C)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)(C)C#N

InChI

InChI=1S/C27H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-25-20-18-24(19-21-25)26(30)31-27(2,3)23-28/h18-21,29H,4-17,22H2,1-3H3