2-methyl-4-(2-naphthalen-1-ylbutanoylamino)-3-phenyl-benzoic acid

Systemtic Name: 2-methyl-4-(2-naphthalen-1-ylbutanoylamino)-3-phenyl-benzoic acid Openeye Name: 2-methyl-4-[2-(1-naphthyl)butanoylamino]-3-phenyl-benzoic acid CAS Name: 2-methyl-4-[[2-(1-naphthalenyl)-1-oxobutyl]amino]-3-phenylbenzoic acid IUPAC Name: 2-methyl-4-(2-naphthalen-1-ylbutanoylamino)-3-phenylbenzoic acid Traditional Name: 2-methyl-4-[2-(1-naphthyl)butanoylamino]-3-phenyl-benzoic acid Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO3/c1-3-21(24-15-9-13-19-10-7-8-14-23(19)24)27(30)29-25-17-16-22(28(31)32)18(2)26(25)20-11-5-4-6-12-20/h4-17,21H,3H2,1-2H3,(H,29,30)(H,31,32)