5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(2-dimethylaminoethyloxy)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4/c1-17(19-9-8-18-6-4-5-7-20(18)15-19)14-24(28)26-23-11-10-21(16-22(23)25(29)30)31-13-12-27(2)3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,29,30)/b17-14-