4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(1H-imidazol-5-ylmethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CN=CN2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CN=CN2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N4O4/c1-16(18-7-6-17-4-2-3-5-19(17)11-18)10-24(31)30-23-12-20(8-9-22(23)26(33)34)25(32)28-14-21-13-27-15-29-21/h2-13,15H,14H2,1H3,(H,27,29)(H,28,32)(H,30,31)(H,33,34)/b16-10-