2-[3-[6-(3,3-dimethylbutanoylamino)naphthalen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[6-(3,3-dimethylbutanoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[6-(3,3-dimethylbutanoylamino)-2-naphthyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[6-[(3,3-dimethyl-1-oxobutyl)amino]-2-naphthalenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[6-(3,3-dimethylbutanoylamino)naphthalen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[6-(3,3-dimethylbutanoylamino)-2-naphthyl]propanoylamino]benzoic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H28N2O4/c1-26(2,3)16-24(30)27-20-12-11-18-14-17(8-10-19(18)15-20)9-13-23(29)28-22-7-5-4-6-21(22)25(31)32/h4-8,10-12,14-15H,9,13,16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)