4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 5-chloranyl-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 5-chloranyl-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 5-chloro-7-[[3-(diethylamino)propylamino]methyl]-8-quinolinol IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol Formula: C40H40ClN3O7 MolecularWeight: 710.2145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNCC1=CC(=C2C=CC=NC2=C1O)Cl.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)CCCNCC1=CC(=C2C=CC=NC2=C1O)Cl.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.C17H24ClN3O/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;1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h1-10,24-25H,11H2,(H,26,27)(H,28,29);5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3