4-(2,5-dihydropyrrol-1-ylcarbonyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(2,5-dihydropyrrol-1-ylcarbonyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(2,5-dihydropyrrole-1-carbonyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(2,5-dihydropyrrole-1-carbonyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(3-pyrroline-1-carbonyl)benzoic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)N2CC=CC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)N2CC=CC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N2O4/c1-17(19-9-8-18-6-2-3-7-20(18)15-19)14-24(29)27-23-16-21(10-11-22(23)26(31)32)25(30)28-12-4-5-13-28/h2-11,14-16H,12-13H2,1H3,(H,27,29)(H,31,32)/b17-14-