2-[3-[(phenylmethyl)-propan-2-yl-amino]propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-[(phenylmethyl)-propan-2-yl-amino]propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-[benzyl(isopropyl)amino]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-[(phenylmethyl)-propan-2-ylamino]propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-[benzyl(propan-2-yl)amino]propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-[benzyl(isopropyl)amino]propylamino]cinchoninic acid Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-17(2)26(16-18-9-4-3-5-10-18)14-8-13-24-22-15-20(23(27)28)19-11-6-7-12-21(19)25-22/h3-7,9-12,15,17H,8,13-14,16H2,1-2H3,(H,24,25)(H,27,28)