1-[propan-2-yl(propyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[propan-2-yl(propyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[isopropyl(propyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[propan-2-yl(propyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[propan-2-yl(propyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[isopropyl(propyl)amino]isoquinoline-3-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC(=CC2=CC=CC=C21)C(=O)O)C(C)C

Isomeric SMILES

CCCN(C1=NC(=CC2=CC=CC=C21)C(=O)O)C(C)C

InChI

InChI=1S/C16H20N2O2/c1-4-9-18(11(2)3)15-13-8-6-5-7-12(13)10-14(17-15)16(19)20/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)