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

Systemtic Name: 4-(dimethylaminocarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(dimethylaminocarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(2,2-dimethylhydrazinyl)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(dimethylaminocarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(dimethylaminocarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4/c1-15(17-9-8-16-6-4-5-7-18(16)13-17)12-22(28)25-21-14-19(23(29)26-27(2)3)10-11-20(21)24(30)31/h4-14H,1-3H3,(H,25,28)(H,26,29)(H,30,31)/b15-12-