2-[5-(6-oxidanylnaphthalen-2-yl)pentanoylamino]benzoic acid

Systemtic Name: 2-[5-(6-oxidanylnaphthalen-2-yl)pentanoylamino]benzoic acid Openeye Name: 2-[5-(6-hydroxy-2-naphthyl)pentanoylamino]benzoic acid CAS Name: 2-[[5-(6-hydroxy-2-naphthalenyl)-1-oxopentyl]amino]benzoic acid IUPAC Name: 2-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]benzoic acid Traditional Name: 2-[5-(6-hydroxy-2-naphthyl)pentanoylamino]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC2=CC3=C(C=C2)C=C(C=C3)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC2=CC3=C(C=C2)C=C(C=C3)O

InChI

InChI=1S/C22H21NO4/c24-18-12-11-16-13-15(9-10-17(16)14-18)5-1-4-8-21(25)23-20-7-3-2-6-19(20)22(26)27/h2-3,6-7,9-14,24H,1,4-5,8H2,(H,23,25)(H,26,27)