2-[2-[3-(acetyloxymethyl)phenyl]ethynyl]-5-(diethanoylamino)benzoic acid

Systemtic Name: 2-[2-[3-(acetyloxymethyl)phenyl]ethynyl]-5-(diethanoylamino)benzoic acid Openeye Name: 2-[2-[3-(acetoxymethyl)phenyl]ethynyl]-5-(diacetylamino)benzoic acid CAS Name: 2-[2-[3-(acetyloxymethyl)phenyl]ethynyl]-5-(diacetylamino)benzoic acid IUPAC Name: 2-[2-[3-(acetyloxymethyl)phenyl]ethynyl]-5-(diacetylamino)benzoic acid Traditional Name: 2-[2-[3-(acetoxymethyl)phenyl]ethynyl]-5-(diacetylamino)benzoic acid Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=C(C=C1)C#CC2=CC(=CC=C2)COC(=O)C)C(=O)O)C(=O)C

Isomeric SMILES

CC(=O)N(C1=CC(=C(C=C1)C#CC2=CC(=CC=C2)COC(=O)C)C(=O)O)C(=O)C

InChI

InChI=1S/C22H19NO6/c1-14(24)23(15(2)25)20-10-9-19(21(12-20)22(27)28)8-7-17-5-4-6-18(11-17)13-29-16(3)26/h4-6,9-12H,13H2,1-3H3,(H,27,28)