2-[4-[2-[(6-chloranylquinolin-8-yl)carbonylamino]ethyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[(6-chloranylquinolin-8-yl)carbonylamino]ethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[(6-chloroquinoline-8-carbonyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[[(6-chloro-8-quinolinyl)-oxomethyl]amino]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[(6-chloroquinoline-8-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(6-chloroquinoline-8-carbonyl)amino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=C3C(=CC(=C2)Cl)C=CC=N3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=C3C(=CC(=C2)Cl)C=CC=N3

InChI

InChI=1S/C22H21ClN2O4/c1-22(2,21(27)28)29-17-7-5-14(6-8-17)9-11-25-20(26)18-13-16(23)12-15-4-3-10-24-19(15)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,26)(H,27,28)