4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 2-(dipropylamino)-1-quinoxalin-2-yl-ethanol

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 2-(dipropylamino)-1-quinoxalin-2-yl-ethanol Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-(dipropylamino)-1-quinoxalin-2-yl-ethanol CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 2-(dipropylamino)-1-(2-quinoxalinyl)ethanol IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 2-(dipropylamino)-1-quinoxalin-2-ylethanol Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 2-(dipropylamino)-1-quinoxalin-2-yl-ethanol Formula: C39H39N3O7 MolecularWeight: 661.74286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(C1=NC2=CC=CC=C2N=C1)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCCN(CCC)CC(C1=NC2=CC=CC=C2N=C1)O.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.C16H23N3O/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;1-3-9-19(10-4-2)12-16(20)15-11-17-13-7-5-6-8-14(13)18-15/h1-10,24-25H,11H2,(H,26,27)(H,28,29);5-8,11,16,20H,3-4,9-10,12H2,1-2H3