2-[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)hexanoylamino]benzoic acid

Systemtic Name: 2-[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)hexanoylamino]benzoic acid Openeye Name: 2-[3-(5-chloro-6-hydroxy-2-naphthyl)hexanoylamino]benzoic acid CAS Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthalenyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 2-[3-(5-chloro-6-hydroxynaphthalen-2-yl)hexanoylamino]benzoic acid Traditional Name: 2-[3-(5-chloro-6-hydroxy-2-naphthyl)hexanoylamino]benzoic acid Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=C(C=C2)C(=C(C=C3)O)Cl

Isomeric SMILES

CCCC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=C(C=C2)C(=C(C=C3)O)Cl

InChI

InChI=1S/C23H22ClNO4/c1-2-5-14(13-21(27)25-19-7-4-3-6-18(19)23(28)29)15-8-10-17-16(12-15)9-11-20(26)22(17)24/h3-4,6-12,14,26H,2,5,13H2,1H3,(H,25,27)(H,28,29)