1-(ethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(ethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(ethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(ethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(ethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(ethylamino)isoquinoline-3-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H12N2O2/c1-2-13-11-9-6-4-3-5-8(9)7-10(14-11)12(15)16/h3-7H,2H2,1H3,(H,13,14)(H,15,16)