pyridin-3-yl 4-(hexadecylamino)-2-methyl-benzoate

Systemtic Name: pyridin-3-yl 4-(hexadecylamino)-2-methyl-benzoate Openeye Name: 3-pyridyl 4-(hexadecylamino)-2-methyl-benzoate CAS Name: 4-(hexadecylamino)-2-methylbenzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(hexadecylamino)-2-methylbenzoate Traditional Name: 4-(cetylamino)-2-methyl-benzoic acid 3-pyridyl ester Formula: C29H44N2O2 MolecularWeight: 452.67186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OC2=CN=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OC2=CN=CC=C2)C

InChI

InChI=1S/C29H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-26-19-20-28(25(2)23-26)29(32)33-27-18-17-21-30-24-27/h17-21,23-24,31H,3-16,22H2,1-2H3