4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(2-acetamidoethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(2-acetamidoethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCCNC(=O)C)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCCNC(=O)C)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H25N3O5/c1-16(19-8-7-18-5-3-4-6-20(18)14-19)13-24(31)29-23-15-21(9-10-22(23)26(33)34)25(32)28-12-11-27-17(2)30/h3-10,13-15H,11-12H2,1-2H3,(H,27,30)(H,28,32)(H,29,31)(H,33,34)/b16-13-