2-[(2-oxidanylidenechromen-3-yl)-(pyridin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 2-[(2-oxidanylidenechromen-3-yl)-(pyridin-4-ylmethyl)amino]benzoic acid Openeye Name: 2-[(2-oxochromen-3-yl)-(4-pyridylmethyl)amino]benzoic acid CAS Name: 2-[(2-oxo-1-benzopyran-3-yl)-(pyridin-4-ylmethyl)amino]benzoic acid IUPAC Name: 2-[(2-oxochromen-3-yl)-(pyridin-4-ylmethyl)amino]benzoic acid Traditional Name: 2-[(2-ketochromen-3-yl)-(4-pyridylmethyl)amino]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)N(CC3=CC=NC=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)N(CC3=CC=NC=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N2O4/c25-21(26)17-6-2-3-7-18(17)24(14-15-9-11-23-12-10-15)19-13-16-5-1-4-8-20(16)28-22(19)27/h1-13H,14H2,(H,25,26)