(2-chloranyl-7-methyl-quinolin-3-yl)methyl (3R)-3-phenylbutanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C[C@@H](C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO2/c1-14-8-9-17-12-18(21(22)23-19(17)10-14)13-25-20(24)11-15(2)16-6-4-3-5-7-16/h3-10,12,15H,11,13H2,1-2H3/t15-/m1/s1