3-(butylaminomethyl)-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(butylaminomethyl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(butylaminomethyl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(butylaminomethyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(butylaminomethyl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(butylaminomethyl)-2-phenyl-cinchoninic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCNCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O2/c1-2-3-13-22-14-17-19(21(24)25)16-11-7-8-12-18(16)23-20(17)15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3,(H,24,25)