4-acetamido-2-oxidanyl-benzoic acid; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: 4-acetamido-2-oxidanyl-benzoic acid; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: 4-acetamido-2-hydroxy-benzoic acid; N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine CAS Name: 4-acetamido-2-hydroxybenzoic acid; N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine IUPAC Name: 4-acetamido-2-hydroxybenzoic acid; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: 4-acetamido-2-hydroxy-benzoic acid; 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine Formula: C36H44ClN5O8 MolecularWeight: 710.21626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3.2C9H9NO4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*2-4,12H,1H3,(H,10,11)(H,13,14)