5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]pyridine-3-carboxylic acid Openeye Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]pyridine-3-carboxylic acid CAS Name: 5-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]pyridine-3-carboxylic acid Traditional Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]nicotinic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CN=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CN=CC(=C5)C(=O)O

InChI

InChI=1S/C24H26N2O4/c27-22(26-20-8-18(23(28)29)12-25-13-20)14-30-21-3-1-19(2-4-21)24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,8,12-13,15-17H,5-7,9-11,14H2,(H,26,27)(H,28,29)