methyl 4-[4-[(7-bromanylquinolin-3-yl)amino]phenoxy]pentanoate

Systemtic Name: methyl 4-[4-[(7-bromanylquinolin-3-yl)amino]phenoxy]pentanoate Openeye Name: methyl 4-[4-[(7-bromo-3-quinolyl)amino]phenoxy]pentanoate CAS Name: 4-[4-[(7-bromo-3-quinolinyl)amino]phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 4-[4-[(7-bromoquinolin-3-yl)amino]phenoxy]pentanoate Traditional Name: 4-[4-[(7-bromo-3-quinolyl)amino]phenoxy]valeric acid methyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)OC1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=C2)Br

Isomeric SMILES

CC(CCC(=O)OC)OC1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=C2)Br

InChI

InChI=1S/C21H21BrN2O3/c1-14(3-10-21(25)26-2)27-19-8-6-17(7-9-19)24-18-11-15-4-5-16(22)12-20(15)23-13-18/h4-9,11-14,24H,3,10H2,1-2H3