4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; N4-(6-ethoxy-3-methyl-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; N4-(6-ethoxy-3-methyl-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; N4-(6-ethoxy-3-methyl-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; N4-(6-ethoxy-3-methyl-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 4-N-(6-ethoxy-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 4-[(6-ethoxy-3-methyl-4-quinolyl)amino]pentyl-diethyl-amine Formula: C44H49N3O7 MolecularWeight: 731.87576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC=C1C)OCC.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC=C1C)OCC.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C21H33N3O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-6-24(7-2)13-9-10-17(5)23-21-16(4)15-22-20-12-11-18(25-8-3)14-19(20)21/h1-10,24-25H,11H2,(H,26,27)(H,28,29);11-12,14-15,17H,6-10,13H2,1-5H3,(H,22,23)