2-[2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[4-(6-chloro-2-keto-4H-3,1-benzoxazin-1-yl)piperidino]acetyl]amino]benzoic acid Formula: C22H22ClN3O5 MolecularWeight: 443.88018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H22ClN3O5/c23-15-5-6-19-14(11-15)13-31-22(30)26(19)16-7-9-25(10-8-16)12-20(27)24-18-4-2-1-3-17(18)21(28)29/h1-6,11,16H,7-10,12-13H2,(H,24,27)(H,28,29)