4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(isobutylcarbamoyl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(2-methylpropylamino)-oxomethyl]-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(isobutylcarbamoyl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H26N2O4/c1-16(2)15-27-25(30)21-10-11-22(26(31)32)23(14-21)28-24(29)12-17(3)19-9-8-18-6-4-5-7-20(18)13-19/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/b17-12+