(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CC(C3=CC=CC=C3)NC(=O)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C[C@H](C3=CC=CC=C3)NC(=O)C)Cl)C

InChI

InChI=1S/C23H23ClN2O3/c1-14-9-10-18-11-19(23(24)26-22(18)15(14)2)13-29-21(28)12-20(25-16(3)27)17-7-5-4-6-8-17/h4-11,20H,12-13H2,1-3H3,(H,25,27)/t20-/m1/s1