1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[[2-(isopropylamino)-2-oxo-ethyl]amino]isoquinoline-3-carboxylic acid CAS Name: 1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[[2-(isopropylamino)-2-keto-ethyl]amino]isoquinoline-3-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)NC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-9(2)17-13(19)8-16-14-11-6-4-3-5-10(11)7-12(18-14)15(20)21/h3-7,9H,8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)