2-[3-(6-oxidanylnaphthalen-2-yl)butanoylamino]benzoic acid

Systemtic Name: 2-[3-(6-oxidanylnaphthalen-2-yl)butanoylamino]benzoic acid Openeye Name: 2-[3-(6-hydroxy-2-naphthyl)butanoylamino]benzoic acid CAS Name: 2-[[3-(6-hydroxy-2-naphthalenyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[3-(6-hydroxynaphthalen-2-yl)butanoylamino]benzoic acid Traditional Name: 2-[3-(6-hydroxy-2-naphthyl)butanoylamino]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-13(14-6-7-16-12-17(23)9-8-15(16)11-14)10-20(24)22-19-5-3-2-4-18(19)21(25)26/h2-9,11-13,23H,10H2,1H3,(H,22,24)(H,25,26)