(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21ClN2O5/c1-12(2)18(24-20(25)17-5-4-8-28-17)21(26)29-11-14-9-13-6-7-15(27-3)10-16(13)23-19(14)22/h4-10,12,18H,11H2,1-3H3,(H,24,25)