propan-2-yl 2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]ethanoate

Systemtic Name: propan-2-yl 2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]ethanoate Openeye Name: isopropyl 2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetate CAS Name: 2-[3-[(2S)-butan-2-yl]-1-chloro-4-isoquinolinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-[(2S)-butan-2-yl]-1-chloroisoquinolin-4-yl]acetate Traditional Name: 2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetic acid isopropyl ester Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)OC(C)C

Isomeric SMILES

CC[C@H](C)C1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)OC(C)C

InChI

InChI=1S/C18H22ClNO2/c1-5-12(4)17-15(10-16(21)22-11(2)3)13-8-6-7-9-14(13)18(19)20-17/h6-9,11-12H,5,10H2,1-4H3/t12-/m0/s1