8-azanyl-4-(4-phenylbutylamino)quinoline-3-carboxylic acid

Systemtic Name: 8-azanyl-4-(4-phenylbutylamino)quinoline-3-carboxylic acid Openeye Name: 8-amino-4-(4-phenylbutylamino)quinoline-3-carboxylic acid CAS Name: 8-amino-4-(4-phenylbutylamino)-3-quinolinecarboxylic acid IUPAC Name: 8-amino-4-(4-phenylbutylamino)quinoline-3-carboxylic acid Traditional Name: 8-amino-4-(4-phenylbutylamino)quinoline-3-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=C3C=CC=C(C3=NC=C2C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=C3C=CC=C(C3=NC=C2C(=O)O)N

InChI

InChI=1S/C20H21N3O2/c21-17-11-6-10-15-18(16(20(24)25)13-23-19(15)17)22-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12,21H2,(H,22,23)(H,24,25)