3-[4-(heptadecylamino)phenyl]carbonyloxypyridine-4-carboxylic acid

Systemtic Name: 3-[4-(heptadecylamino)phenyl]carbonyloxypyridine-4-carboxylic acid Openeye Name: 3-[4-(heptadecylamino)benzoyl]oxypyridine-4-carboxylic acid CAS Name: 3-[[4-(heptadecylamino)phenyl]-oxomethoxy]-4-pyridinecarboxylic acid IUPAC Name: 3-[4-(heptadecylamino)benzoyl]oxypyridine-4-carboxylic acid Traditional Name: 3-[4-(heptadecylamino)benzoyl]oxyisonicotinic acid Formula: C30H44N2O4 MolecularWeight: 496.68136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=C(C=CN=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=C(C=CN=C2)C(=O)O

InChI

InChI=1S/C30H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-26-19-17-25(18-20-26)30(35)36-28-24-31-23-21-27(28)29(33)34/h17-21,23-24,32H,2-16,22H2,1H3,(H,33,34)