2-[3-(5-methyl-6-oxidanyl-naphthalen-2-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(5-methyl-6-oxidanyl-naphthalen-2-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(6-hydroxy-5-methyl-2-naphthyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(6-hydroxy-5-methyl-2-naphthalenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(6-hydroxy-5-methylnaphthalen-2-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(6-hydroxy-5-methyl-2-naphthyl)propanoylamino]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CC(=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1C=CC(=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)O

InChI

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