2-(3-ethyl-1-propan-2-yl-isoquinolin-5-yl)ethanoic acid

Systemtic Name: 2-(3-ethyl-1-propan-2-yl-isoquinolin-5-yl)ethanoic acid Openeye Name: 2-(3-ethyl-1-isopropyl-5-isoquinolyl)acetic acid CAS Name: 2-(3-ethyl-1-propan-2-yl-5-isoquinolinyl)acetic acid IUPAC Name: 2-(3-ethyl-1-propan-2-ylisoquinolin-5-yl)acetic acid Traditional Name: 2-(3-ethyl-1-isopropyl-5-isoquinolyl)acetic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C(C)C

Isomeric SMILES

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C(C)C

InChI

InChI=1S/C16H19NO2/c1-4-12-9-14-11(8-15(18)19)6-5-7-13(14)16(17-12)10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)