2-[1-[methyl-(phenylmethyl)amino]butan-2-ylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[1-[methyl-(phenylmethyl)amino]butan-2-ylamino]quinoline-4-carboxylic acid Openeye Name: 2-[1-[[benzyl(methyl)amino]methyl]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[1-[methyl-(phenylmethyl)amino]butan-2-ylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[1-[benzyl(methyl)amino]butan-2-ylamino]quinoline-4-carboxylic acid Traditional Name: 2-[1-[[benzyl(methyl)amino]methyl]propylamino]cinchoninic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C)CC1=CC=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCC(CN(C)CC1=CC=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C22H25N3O2/c1-3-17(15-25(2)14-16-9-5-4-6-10-16)23-21-13-19(22(26)27)18-11-7-8-12-20(18)24-21/h4-13,17H,3,14-15H2,1-2H3,(H,23,24)(H,26,27)