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

Systemtic Name: 2-cyanopropan-2-yl 4-(heptadecylamino)benzoate Openeye Name: (1-cyano-1-methyl-ethyl) 4-(heptadecylamino)benzoate CAS Name: 4-(heptadecylamino)benzoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 4-(heptadecylamino)benzoate Traditional Name: 4-(heptadecylamino)benzoic acid (1-cyano-1-methyl-ethyl) ester Formula: C28H46N2O2 MolecularWeight: 442.67704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)(C)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)(C)C#N

InChI

InChI=1S/C28H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26-21-19-25(20-22-26)27(31)32-28(2,3)24-29/h19-22,30H,4-18,23H2,1-3H3