2-[2-(isoquinolin-8-ylamino)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-(isoquinolin-8-ylamino)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(8-isoquinolylamino)-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-(8-isoquinolinylamino)-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(8-isoquinolylamino)-2-keto-ethyl]benzoic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NC2=CC=CC3=C2C=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)NC2=CC=CC3=C2C=NC=C3)C(=O)O

InChI

InChI=1S/C18H14N2O3/c21-17(10-13-4-1-2-6-14(13)18(22)23)20-16-7-3-5-12-8-9-19-11-15(12)16/h1-9,11H,10H2,(H,20,21)(H,22,23)