5-(2-methylbenzimidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-(2-methylbenzimidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(2-methylbenzimidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(2-methyl-1-benzimidazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(2-methylbenzimidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(2-methylbenzimidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C29H23N3O3 MolecularWeight: 461.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C3=CC(=C(C=C3)NC(=O)C=C(C)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C3=CC(=C(C=C3)NC(=O)/C=C(\C)/C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C29H23N3O3/c1-18(21-12-11-20-7-3-4-8-22(20)16-21)15-28(33)31-25-14-13-23(17-24(25)29(34)35)32-19(2)30-26-9-5-6-10-27(26)32/h3-17H,1-2H3,(H,31,33)(H,34,35)/b18-15+