N1,N1-diethyl-N4-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N1,N1-diethyl-N4-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N1,N1-diethyl-N4-(7-phenoxy-4-quinolyl)pentane-1,4-diamine CAS Name: N1,N1-diethyl-N4-(7-phenoxy-4-quinolinyl)pentane-1,4-diamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-N,1-N-diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[4-[(7-phenoxy-4-quinolyl)amino]pentyl]amine Formula: C30H39N3O8 MolecularWeight: 569.64596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O.C6H8O7/c1-4-27(5-2)17-9-10-19(3)26-23-15-16-25-24-18-21(13-14-22(23)24)28-20-11-7-6-8-12-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)