5-[(4-dec-1-ynylphenyl)methyl-pyridin-4-ylcarbonyl-amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-dec-1-ynylphenyl)methyl-pyridin-4-ylcarbonyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-dec-1-ynylphenyl)methyl-(pyridine-4-carbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[(4-dec-1-ynylphenyl)methyl-[oxo(pyridin-4-yl)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-dec-1-ynylphenyl)methyl-(pyridine-4-carbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-dec-1-ynylbenzyl)-isonicotinoyl-amino]-2-hydroxy-benzoic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)C3=CC=NC=C3

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C30H32N2O4/c1-2-3-4-5-6-7-8-9-10-23-11-13-24(14-12-23)22-32(29(34)25-17-19-31-20-18-25)26-15-16-28(33)27(21-26)30(35)36/h11-21,33H,2-8,22H2,1H3,(H,35,36)