2-[2-(quinolin-3-ylamino)propanoylamino]hexanoic acid

Systemtic Name: 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoic acid Openeye Name: 2-[2-(3-quinolylamino)propanoylamino]hexanoic acid CAS Name: 2-[[1-oxo-2-(3-quinolinylamino)propyl]amino]hexanoic acid IUPAC Name: 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoic acid Traditional Name: 2-[2-(3-quinolylamino)propanoylamino]hexanoic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)NC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(C)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C18H23N3O3/c1-3-4-8-16(18(23)24)21-17(22)12(2)20-14-10-13-7-5-6-9-15(13)19-11-14/h5-7,9-12,16,20H,3-4,8H2,1-2H3,(H,21,22)(H,23,24)