2-[3-chloranyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]ethanoate

Systemtic Name: 2-[3-chloranyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]ethanoate Openeye Name: 2-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]acetate CAS Name: 2-[3-chloro-4-[[1-isoquinolinyl(oxo)methyl]amino]phenyl]acetate IUPAC Name: 2-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]acetate Traditional Name: 2-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]acetate Formula: C18H12ClN2O3- MolecularWeight: 339.75248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O3/c19-14-9-11(10-16(22)23)5-6-15(14)21-18(24)17-13-4-2-1-3-12(13)7-8-20-17/h1-9H,10H2,(H,21,24)(H,22,23)/p-1