2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetic acid CAS Name: 2-[3-[(2S)-butan-2-yl]-1-chloro-4-isoquinolinyl]acetic acid IUPAC Name: 2-[3-[(2S)-butan-2-yl]-1-chloroisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetic acid Formula: C15H16ClNO2 MolecularWeight: 277.74604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO2/c1-3-9(2)14-12(8-13(18)19)10-6-4-5-7-11(10)15(16)17-14/h4-7,9H,3,8H2,1-2H3,(H,18,19)/t9-/m0/s1