butanedioic acid; N4-(6-methoxy-5-phenoxy-quinolin-8-yl)pentane-1,4-diamine

Systemtic Name: butanedioic acid; N4-(6-methoxy-5-phenoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: N4-(6-methoxy-5-phenoxy-8-quinolyl)pentane-1,4-diamine; succinic acid CAS Name: butanedioic acid; N4-(6-methoxy-5-phenoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: butanedioic acid; 4-N-(6-methoxy-5-phenoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-5-phenoxy-8-quinolyl)amine; succinic acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)OC3=CC=CC=C3)OC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)OC3=CC=CC=C3)OC.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N3O2.C4H6O4/c1-15(8-6-12-22)24-18-14-19(25-2)21(17-11-7-13-23-20(17)18)26-16-9-4-3-5-10-16;5-3(6)1-2-4(7)8/h3-5,7,9-11,13-15,24H,6,8,12,22H2,1-2H3;1-2H2,(H,5,6)(H,7,8)