5-azanyl-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 5-azanyl-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 5-amino-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 5-amino-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 5-amino-7-[3-(diethylamino)propyl]-3,6-dimethyl-2-phenyl-cinchoninic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=CC2=NC(=C(C(=C2C(=C1C)N)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCC1=CC2=NC(=C(C(=C2C(=C1C)N)C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-5-28(6-2)14-10-13-19-15-20-22(23(26)16(19)3)21(25(29)30)17(4)24(27-20)18-11-8-7-9-12-18/h7-9,11-12,15H,5-6,10,13-14,26H2,1-4H3,(H,29,30)